diff --git a/bench/KEPLER/Makefile.cpu b/bench/KEPLER/Makefile.cpu new file mode 100755 index 000000000..f27d7e930 --- /dev/null +++ b/bench/KEPLER/Makefile.cpu @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.cuda b/bench/KEPLER/Makefile.cuda new file mode 100755 index 000000000..f27d7e930 --- /dev/null +++ b/bench/KEPLER/Makefile.cuda @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.gpu b/bench/KEPLER/Makefile.gpu new file mode 100755 index 000000000..f27d7e930 --- /dev/null +++ b/bench/KEPLER/Makefile.gpu @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.gpu.double b/bench/KEPLER/Makefile.gpu.double new file mode 100644 index 000000000..19dae5544 --- /dev/null +++ b/bench/KEPLER/Makefile.gpu.double @@ -0,0 +1,50 @@ +# /* ---------------------------------------------------------------------- +# Generic Linux Makefile for CUDA +# - Change CUDA_ARCH for your GPU +# ------------------------------------------------------------------------- */ + +# which file will be copied to Makefile.lammps + +EXTRAMAKE = Makefile.lammps.standard + +CUDA_HOME = /home/projects/cuda/6.0.37 +NVCC = nvcc + +# Kepler CUDA +CUDA_ARCH = -arch=sm_35 +# Tesla CUDA +#CUDA_ARCH = -arch=sm_21 +# newer CUDA +#CUDA_ARCH = -arch=sm_13 +# older CUDA +#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE + +# this setting should match LAMMPS Makefile +# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL + +LMP_INC = -DLAMMPS_SMALLBIG + +# precision for GPU calculations +# -D_SINGLE_SINGLE # Single precision for all calculations +# -D_DOUBLE_DOUBLE # Double precision for all calculations +# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double + +CUDA_PRECISION = -D_DOUBLE_DOUBLE + +CUDA_INCLUDE = -I$(CUDA_HOME)/include +CUDA_LIB = -L$(CUDA_HOME)/lib64 +CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math + +CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK +CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias + +BIN_DIR = ./ +OBJ_DIR = ./ +LIB_DIR = ./ +AR = ar +BSH = /bin/sh + +CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini + +include Nvidia.makefile + diff --git a/bench/KEPLER/Makefile.gpu.mixed b/bench/KEPLER/Makefile.gpu.mixed new file mode 100644 index 000000000..97ca9201c --- /dev/null +++ b/bench/KEPLER/Makefile.gpu.mixed @@ -0,0 +1,50 @@ +# /* ---------------------------------------------------------------------- +# Generic Linux Makefile for CUDA +# - Change CUDA_ARCH for your GPU +# ------------------------------------------------------------------------- */ + +# which file will be copied to Makefile.lammps + +EXTRAMAKE = Makefile.lammps.standard + +CUDA_HOME = /home/projects/cuda/6.0.37 +NVCC = nvcc + +# Kepler CUDA +CUDA_ARCH = -arch=sm_35 +# Tesla CUDA +#CUDA_ARCH = -arch=sm_21 +# newer CUDA +#CUDA_ARCH = -arch=sm_13 +# older CUDA +#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE + +# this setting should match LAMMPS Makefile +# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL + +LMP_INC = -DLAMMPS_SMALLBIG + +# precision for GPU calculations +# -D_SINGLE_SINGLE # Single precision for all calculations +# -D_DOUBLE_DOUBLE # Double precision for all calculations +# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double + +CUDA_PRECISION = -D_SINGLE_DOUBLE + +CUDA_INCLUDE = -I$(CUDA_HOME)/include +CUDA_LIB = -L$(CUDA_HOME)/lib64 +CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math + +CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK +CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias + +BIN_DIR = ./ +OBJ_DIR = ./ +LIB_DIR = ./ +AR = ar +BSH = /bin/sh + +CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini + +include Nvidia.makefile + diff --git a/bench/KEPLER/Makefile.gpu.single b/bench/KEPLER/Makefile.gpu.single new file mode 100644 index 000000000..f8005aaac --- /dev/null +++ b/bench/KEPLER/Makefile.gpu.single @@ -0,0 +1,50 @@ +# /* ---------------------------------------------------------------------- +# Generic Linux Makefile for CUDA +# - Change CUDA_ARCH for your GPU +# ------------------------------------------------------------------------- */ + +# which file will be copied to Makefile.lammps + +EXTRAMAKE = Makefile.lammps.standard + +CUDA_HOME = /home/projects/cuda/6.0.37 +NVCC = nvcc + +# Kepler CUDA +CUDA_ARCH = -arch=sm_35 +# Tesla CUDA +#CUDA_ARCH = -arch=sm_21 +# newer CUDA +#CUDA_ARCH = -arch=sm_13 +# older CUDA +#CUDA_ARCH = -arch=sm_10 -DCUDA_PRE_THREE + +# this setting should match LAMMPS Makefile +# one of LAMMPS_SMALLBIG (default), LAMMPS_BIGBIG and LAMMPS_SMALLSMALL + +LMP_INC = -DLAMMPS_SMALLBIG + +# precision for GPU calculations +# -D_SINGLE_SINGLE # Single precision for all calculations +# -D_DOUBLE_DOUBLE # Double precision for all calculations +# -D_SINGLE_DOUBLE # Accumulation of forces, etc. in double + +CUDA_PRECISION = -D_SINGLE_SINGLE + +CUDA_INCLUDE = -I$(CUDA_HOME)/include +CUDA_LIB = -L$(CUDA_HOME)/lib64 +CUDA_OPTS = -DUNIX -O3 -Xptxas -v --use_fast_math + +CUDR_CPP = mpic++ -DMPI_GERYON -DUCL_NO_EXIT -DMPICH_IGNORE_CXX_SEEK +CUDR_OPTS = -O2 # -xHost -no-prec-div -ansi-alias + +BIN_DIR = ./ +OBJ_DIR = ./ +LIB_DIR = ./ +AR = ar +BSH = /bin/sh + +CUDPP_OPT = -DUSE_CUDPP -Icudpp_mini + +include Nvidia.makefile + diff --git a/bench/KEPLER/Makefile.intel.cpu b/bench/KEPLER/Makefile.intel.cpu new file mode 100755 index 000000000..49a5f12b8 --- /dev/null +++ b/bench/KEPLER/Makefile.intel.cpu @@ -0,0 +1,109 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O3 -openmp -DLAMMPS_MEMALIGN=64 -no-offload \ + -xHost -fno-alias -ansi-alias -restrict -override-limits +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O -openmp +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.kokkos.cuda b/bench/KEPLER/Makefile.kokkos.cuda new file mode 100755 index 000000000..3f7569488 --- /dev/null +++ b/bench/KEPLER/Makefile.kokkos.cuda @@ -0,0 +1,113 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = nvcc +CCFLAGS = -O3 -arch=sm_35 +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = mpicxx +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +OMP = yes +CUDA = yes + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules +%.o:%.cu + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.kokkos.omp b/bench/KEPLER/Makefile.kokkos.omp new file mode 100755 index 000000000..61efa1ff6 --- /dev/null +++ b/bench/KEPLER/Makefile.kokkos.omp @@ -0,0 +1,110 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +OMP = yes + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.omp b/bench/KEPLER/Makefile.omp new file mode 100755 index 000000000..41c430f0f --- /dev/null +++ b/bench/KEPLER/Makefile.omp @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O3 -openmp -ansi-alias +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O -openmp +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/Makefile.opt b/bench/KEPLER/Makefile.opt new file mode 100755 index 000000000..f27d7e930 --- /dev/null +++ b/bench/KEPLER/Makefile.opt @@ -0,0 +1,108 @@ +# linux = Shannon Linux box, Intel icc, OpenMPI, KISS FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = icc +CCFLAGS = -O +SHFLAGS = -fPIC +DEPFLAGS = -M + +LINK = icc +LINKFLAGS = -O +LIB = -lstdc++ +SIZE = size + +ARCHIVE = ar +ARFLAGS = -rc +SHLIBFLAGS = -shared + +# --------------------------------------------------------------------- +# LAMMPS-specific settings +# specify settings for LAMMPS features you will use +# if you change any -D setting, do full re-compile after "make clean" + +# LAMMPS ifdef settings, OPTIONAL +# see possible settings in doc/Section_start.html#2_2 (step 4) + +LMP_INC = + +# MPI library, REQUIRED +# see discussion in doc/Section_start.html#2_2 (step 5) +# can point to dummy MPI library in src/STUBS as in Makefile.serial +# INC = path for mpi.h, MPI compiler settings +# PATH = path for MPI library +# LIB = name of MPI library + +MPI_INC = -I/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/include/ +MPI_PATH = -L/home/projects/openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37/lib +MPI_LIB = -lmpi + +# FFT library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 6) +# can be left blank to use provided KISS FFT library +# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings +# PATH = path for FFT library +# LIB = name of FFT library + +FFT_INC = +FFT_PATH = +FFT_LIB = + +# JPEG and/or PNG library, OPTIONAL +# see discussion in doc/Section_start.html#2_2 (step 7) +# only needed if -DLAMMPS_JPEG or -DLAMMPS_PNG listed with LMP_INC +# INC = path(s) for jpeglib.h and/or png.h +# PATH = path(s) for JPEG library and/or PNG library +# LIB = name(s) of JPEG library and/or PNG library + +JPG_INC = +JPG_PATH = +JPG_LIB = -ljpeg + +# --------------------------------------------------------------------- +# build rules and dependencies +# no need to edit this section + +include Makefile.package.settings +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) $(JPG_INC) $(PKG_SYSINC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(JPG_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(JPG_LIB) $(PKG_SYSLIB) + +# Path to src files + +vpath %.cpp .. +vpath %.h .. + +# Link target + +$(EXE): $(OBJ) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) + $(SIZE) $(EXE) + +# Library targets + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) + +shlib: $(OBJ) + $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ + $(OBJ) $(EXTRA_LIB) $(LIB) + +# Compilation rules + +%.o:%.cpp + $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< + +%.d:%.cpp + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ + +# Individual dependencies + +DEPENDS = $(OBJ:.o=.d) +sinclude $(DEPENDS) diff --git a/bench/KEPLER/README b/bench/KEPLER/README new file mode 100644 index 000000000..5244aa891 --- /dev/null +++ b/bench/KEPLER/README @@ -0,0 +1,68 @@ +These are input scripts used to run versions of several of the +benchmarks in the top-level bench directory using the GPU and +USER-CUDA accelerator packages. The results of running these scripts +on two different machines (a desktop with 2 Tesla GPUs and the ORNL +Titan supercomputer) are shown on the "GPU (Fermi)" section of the +Benchmark page of the LAMMPS WWW site: lammps.sandia.gov/bench. + +Examples are shown below of how to run these scripts. This assumes +you have built 3 executables with both the GPU and USER-CUDA packages +installed, e.g. + +lmp_linux_single +lmp_linux_mixed +lmp_linux_double + +The precision (single, mixed, double) refers to the GPU and USER-CUDA +pacakge precision. See the README files in the lib/gpu and lib/cuda +directories for instructions on how to build the packages with +different precisions. The doc/Section_accelerate.html file also has a +summary description. + +------------------------------------------------------------------------ + +If the script has "cpu" in its name, it is meant to be run in CPU-only +mode (without using the GPU or USER-CUDA styles). For example: + +mpirun -np 1 ../lmp_linux_double -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mpirun -np 12 ../lmp_linux_double -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu + +The "xyz" settings determine the problem size. The "t" setting +determines the number of timesteps. + +------------------------------------------------------------------------ + +If the script has "gpu" in its name, it is meant to be run using +the GPU package. For example: + +mpirun -np 12 ../lmp_linux_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu + +mpirun -np 8 ../lmp_linux_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu + +The "xyz" settings determine the problem size. The "t" setting +determines the number of timesteps. The "np" setting determines how +many MPI tasks per compute node the problem will run on, and the "g" +setting determines how many GPUs per compute node the problem will run +on, i.e. 1 or 2 in this case. Note that you can use more MPI tasks +than GPUs (both per compute node) with the GPU package. + +------------------------------------------------------------------------ + +If the script has "cuda" in its name, it is meant to be run using +the USER-CUDA package. For example: + +mpirun -np 1 ../lmp_linux_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda + +mpirun -np 2 ../lmp_linux_double -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.eam.cuda + +The "xyz" settings determine the problem size. The "t" setting +determines the number of timesteps. The "np" setting determines how +many MPI tasks per compute node the problem will run on, and the "g" +setting determines how many GPUs per compute node the problem will run +on, i.e. 1 or 2 in this case. For the USER-CUDA package, the number +of MPI tasks and GPUs (both per compute node) must be equal. + +------------------------------------------------------------------------ + +If the script has "titan" in its name, it was run on the Titan supercomputer +at ORNL. diff --git a/bench/KEPLER/build.py b/bench/KEPLER/build.py new file mode 100644 index 000000000..39b7617a0 --- /dev/null +++ b/bench/KEPLER/build.py @@ -0,0 +1,181 @@ +#!/usr/local/bin/python + +# Syntax: build.py target1 target2 ... +# targets: +# cpu, opt, omp, +# gpu/double, gpu/mixed, gpu/single, +# cuda/double, cuda/mixed, cuda/single, +# intel/cpu, intel/phi, +# kokkos/omp, kokkos/phi, kokkos/cuda +# gpu = gpu/double + gpu/mixed + gpu/single +# cuda = cuda/double + cuda/mixed + cuda/single +# intel = intel/cpu + intel/phi +# kokkos = kokkos/omp + kokkos/phi + kokkos/cuda +# all = cpu + opt + omp + gpu + cuda + intel + kokkos + +# create exectuables for different packages +# MUST set lmpdir to path of LAMMPS home directory + +import sys,commands,os + +lmpdir = "~/lammps" + +# build LAMMPS +# copy makefile into src/MAKE as Makefile.foo, then remove it + +def build_lammps(makefile,pkg): + print "Building LAMMPS with %s and %s packages ..." % (makefile,pkg) + commands.getoutput("cp %s %s/src/MAKE/Makefile.foo" % (makefile,lmpdir)) + cwd = os.getcwd() + os.chdir(os.path.expanduser(lmpdir + "/src")) + str = "make clean-foo" + txt = commands.getoutput(str) + str = "make no-all" + txt = commands.getoutput(str) + for package in pkg: + str = "make yes-%s" % package + txt = commands.getoutput(str) + print txt + str = "make -j 16 foo" + txt = commands.getoutput(str) + os.remove("MAKE/Makefile.foo") + os.chdir(cwd) + +# build GPU library in LAMMPS +# copy makefile into lib/gpu as Makefile.foo, then remove it + +def build_gpu(makefile): + print "Building GPU lib with %s ..." % makefile + commands.getoutput("cp %s %s/lib/gpu/Makefile.foo" % (makefile,lmpdir)) + cwd = os.getcwd() + os.chdir(os.path.expanduser(lmpdir + "/lib/gpu")) + str = "make -f Makefile.foo clean" + txt = commands.getoutput(str) + str = "make -j 16 -f Makefile.foo" + txt = commands.getoutput(str) + os.remove("Makefile.foo") + os.chdir(cwd) + +# build CUDA library in LAMMPS +# set precision and arch explicitly as options to make in lib/cuda + +def build_cuda(precision,arch): + print "Building USER-CUDA lib with %s and arch sm_%d ..." % (precision,arch) + cwd = os.getcwd() + os.chdir(os.path.expanduser(lmpdir + "/lib/cuda")) + str = "make clean" + txt = commands.getoutput(str) + if precision == "double": pflag = 2 + elif precision == "mixed": pflag = 4 + elif precision == "single": pflag = 1 + str = "make -j 16 precision=%d arch=%s" % (pflag,arch) + txt = commands.getoutput(str) + + os.chdir(cwd) + +# main program +# convert target keywords into target flags + +cpu = opt = omp = 0 +gpu_double = gpu_mixed = gpu_single = 0 +cuda_double = cuda_mixed = cuda_single = 0 +intel_cpu = intel_phi = 0 +kokkos_omp = kokkos_phi = kokkos_cuda = 0 + +targets = sys.argv[1:] +for target in targets: + if target == "cpu": cpu = 1 + elif target == "opt": opt = 1 + elif target == "omp": omp = 1 + elif target == "gpu/double": gpu_double = 1 + elif target == "gpu/mixed": gpu_mixed = 1 + elif target == "gpu/single": gpu_single = 1 + elif target == "gpu": gpu_double = gpu_mixed = gpu_single = 1 + elif target == "cuda/double": cuda_double = 1 + elif target == "cuda/mixed": cuda_mixed = 1 + elif target == "cuda/single": cuda_single = 1 + elif target == "cuda": cuda_double = cuda_mixed = cuda_single = 1 + elif target == "intel/cpu": intel_cpu = 1 + elif target == "intel/phi": intel_phi = 1 + elif target == "intel": intel_cpu = intel_phi = 1 + elif target == "kokkos/omp": kokkos_omp = 1 + elif target == "kokkos/phi": kokkos_phi = 1 + elif target == "kokkos/cuda": kokkos_cuda = 1 + elif target == "kokkos": kokkos_omp = kokkos_phi = kokkos_cuda = 1 + else: print "Target",target,"is unknown" + +# CPU + +if cpu: + build_lammps(makefile = "Makefile.cpu", pkg = []) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_cpu" % lmpdir) + +# OPT + +if opt: + build_lammps(makefile = "Makefile.opt", pkg = ["opt"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_opt" % lmpdir) + +# OMP + +if omp: + build_lammps(makefile = "Makefile.omp", pkg = ["user-omp"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_omp" % lmpdir) + +# GPU, 3 precisions + +if gpu_double: + build_gpu(makefile = "Makefile.gpu.double") + build_lammps(makefile = "Makefile.gpu", pkg = ["gpu"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_gpu_double" % lmpdir) + +if gpu_mixed: + build_gpu(makefile = "Makefile.gpu.mixed") + build_lammps(makefile = "Makefile.gpu", pkg = ["gpu"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_gpu_mixed" % lmpdir) + +if gpu_single: + build_gpu(makefile = "Makefile.gpu.single") + build_lammps(makefile = "Makefile.gpu", pkg = ["gpu"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_gpu_single" % lmpdir) + +# CUDA, 3 precisions + +if cuda_double: + build_cuda(precision = "double", arch = 35) + build_lammps(makefile = "Makefile.cuda", pkg = ["kspace","user-cuda"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_cuda_double" % lmpdir) + +if cuda_mixed: + build_cuda(precision = "mixed", arch = 35) + build_lammps(makefile = "Makefile.cuda", pkg = ["kspace","user-cuda"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_cuda_mixed" % lmpdir) + +if cuda_single: + build_cuda(precision = "single", arch = 35) + build_lammps(makefile = "Makefile.cuda", pkg = ["kspace","user-cuda"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_cuda_single" % lmpdir) + +# INTEL, CPU and Phi + +if intel_cpu: + build_lammps(makefile = "Makefile.intel.cpu", pkg = ["user-intel"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_intel_cpu" % lmpdir) + +if intel_phi: + build_lammps(makefile = "Makefile.intel.phi", pkg = ["user-intel","user-omp"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_intel_phi" % lmpdir) + +# KOKKOS, all variants + +if kokkos_omp: + build_lammps(makefile = "Makefile.kokkos.omp", pkg = ["kokkos"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_kokkos_omp" % lmpdir) + +if kokkos_phi: + build_lammps(makefile = "Makefile.kokkos.phi", pkg = ["kokkos"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_kokkos_phi" % lmpdir) + +if kokkos_cuda: + build_lammps(makefile = "Makefile.kokkos.cuda", pkg = ["kokkos"]) + print commands.getoutput("mv %s/src/lmp_foo ./lmp_kokkos_cuda" % lmpdir) diff --git a/bench/KEPLER/in.lj.cpu b/bench/KEPLER/in.lj.cpu new file mode 100644 index 000000000..ab6988e28 --- /dev/null +++ b/bench/KEPLER/in.lj.cpu @@ -0,0 +1,22 @@ +# 3d Lennard-Jones melt + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.cuda b/bench/KEPLER/in.lj.cuda new file mode 100644 index 000000000..fcf6e37bc --- /dev/null +++ b/bench/KEPLER/in.lj.cuda @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +# set number of GPUs + +package cuda gpu/node $g + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.gpu b/bench/KEPLER/in.lj.gpu new file mode 100644 index 000000000..6cc283136 --- /dev/null +++ b/bench/KEPLER/in.lj.gpu @@ -0,0 +1,29 @@ +# 3d Lennard-Jones melt + +# newton off is required for GPU package +# set number of GPUs + +newton off +if "$g == 1" then "package gpu force/neigh 0 0 1" +if "$g == 2" then "package gpu force/neigh 0 1 1" + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.intel.cpu b/bench/KEPLER/in.lj.intel.cpu new file mode 100644 index 000000000..f8634ead8 --- /dev/null +++ b/bench/KEPLER/in.lj.intel.cpu @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +# set precision for USER-INTEL package + +package intel 1 $a balance 0.0 + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.kokkos.cuda b/bench/KEPLER/in.lj.kokkos.cuda new file mode 100644 index 000000000..ae403e70c --- /dev/null +++ b/bench/KEPLER/in.lj.kokkos.cuda @@ -0,0 +1,29 @@ +# 3d Lennard-Jones melt + +# set neighlist style and comm mode + +package kokkos neigh full comm/exchange $c comm/forward $c +newton off + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +# set neighbor bins to cutoff + skin + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no binsize 2.8 + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.kokkos.omp b/bench/KEPLER/in.lj.kokkos.omp new file mode 100644 index 000000000..34bfddcbd --- /dev/null +++ b/bench/KEPLER/in.lj.kokkos.omp @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +# set neighlist style and comm mode + +package kokkos neigh $n comm/exchange $c comm/forward $c + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.omp b/bench/KEPLER/in.lj.omp new file mode 100644 index 000000000..3c80af3e3 --- /dev/null +++ b/bench/KEPLER/in.lj.omp @@ -0,0 +1,26 @@ +# 3d Lennard-Jones melt + +# set number of threads per MPI task + +package omp $h + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/in.lj.opt b/bench/KEPLER/in.lj.opt new file mode 100644 index 000000000..ab6988e28 --- /dev/null +++ b/bench/KEPLER/in.lj.opt @@ -0,0 +1,22 @@ +# 3d Lennard-Jones melt + +units lj +atom_style atomic + +lattice fcc 0.8442 +region box block 0 $x 0 $y 0 $z +create_box 1 box +create_atoms 1 box +mass 1 1.0 + +velocity all create 1.44 87287 loop geom + +pair_style lj/cut 2.5 +pair_coeff 1 1 1.0 1.0 2.5 + +neighbor 0.3 bin +neigh_modify delay 0 every 20 check no + +fix 1 all nve + +run $t diff --git a/bench/KEPLER/run_cpu.sh b/bench/KEPLER/run_cpu.sh new file mode 100644 index 000000000..b08d606c9 --- /dev/null +++ b/bench/KEPLER/run_cpu.sh @@ -0,0 +1,434 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -N 1 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.1 +mpirun -N 1 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.1 +mpirun -N 1 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.1 +mpirun -N 1 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.1 +mpirun -N 1 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.1 +mpirun -N 1 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.1 +mpirun -N 1 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.1 +mpirun -N 1 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.1 +mpirun -N 1 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.1 +mpirun -N 1 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.1 +mpirun -N 1 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.1 +mpirun -N 1 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.1 +mpirun -N 1 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.1 + +mpirun -N 2 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.2 +mpirun -N 2 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.2 +mpirun -N 2 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.2 +mpirun -N 2 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.2 +mpirun -N 2 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.2 +mpirun -N 2 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.2 +mpirun -N 2 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.2 +mpirun -N 2 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.2 +mpirun -N 2 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.2 +mpirun -N 2 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.2 +mpirun -N 2 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.2 +mpirun -N 2 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.2 +mpirun -N 2 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.2 + +mpirun -N 3 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.3 +mpirun -N 3 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.3 +mpirun -N 3 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.3 +mpirun -N 3 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.3 +mpirun -N 3 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.3 +mpirun -N 3 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.3 +mpirun -N 3 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.3 +mpirun -N 3 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.3 +mpirun -N 3 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.3 +mpirun -N 3 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.3 +mpirun -N 3 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.3 +mpirun -N 3 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.3 +mpirun -N 3 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.3 + +mpirun -N 4 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.4 +mpirun -N 4 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.4 +mpirun -N 4 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.4 +mpirun -N 4 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.4 +mpirun -N 4 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.4 +mpirun -N 4 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.4 +mpirun -N 4 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.4 +mpirun -N 4 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.4 +mpirun -N 4 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.4 +mpirun -N 4 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.4 +mpirun -N 4 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.4 +mpirun -N 4 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.4 +mpirun -N 4 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.4 + +mpirun -N 5 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.5 +mpirun -N 5 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.5 +mpirun -N 5 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.5 +mpirun -N 5 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.5 +mpirun -N 5 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.5 +mpirun -N 5 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.5 +mpirun -N 5 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.5 +mpirun -N 5 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.5 +mpirun -N 5 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.5 +mpirun -N 5 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.5 +mpirun -N 5 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.5 +mpirun -N 5 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.5 +mpirun -N 5 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.5 + +mpirun -N 6 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.6 +mpirun -N 6 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.6 +mpirun -N 6 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.6 +mpirun -N 6 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.6 +mpirun -N 6 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.6 +mpirun -N 6 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.6 +mpirun -N 6 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.6 +mpirun -N 6 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.6 +mpirun -N 6 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.6 +mpirun -N 6 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.6 +mpirun -N 6 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.6 +mpirun -N 6 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.6 +mpirun -N 6 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.6 + +mpirun -N 7 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.7 +mpirun -N 7 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.7 +mpirun -N 7 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.7 +mpirun -N 7 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.7 +mpirun -N 7 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.7 +mpirun -N 7 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.7 +mpirun -N 7 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.7 +mpirun -N 7 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.7 +mpirun -N 7 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.7 +mpirun -N 7 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.7 +mpirun -N 7 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.7 +mpirun -N 7 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.7 +mpirun -N 7 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.7 + +mpirun -N 8 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.8 +mpirun -N 8 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.8 +mpirun -N 8 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.8 +mpirun -N 8 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.8 +mpirun -N 8 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.8 +mpirun -N 8 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.8 +mpirun -N 8 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.8 +mpirun -N 8 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.8 +mpirun -N 8 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.8 +mpirun -N 8 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.8 +mpirun -N 8 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.8 +mpirun -N 8 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.8 +mpirun -N 8 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.8 + +mpirun -N 9 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.9 +mpirun -N 9 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.9 +mpirun -N 9 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.9 +mpirun -N 9 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.9 +mpirun -N 9 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.9 +mpirun -N 9 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.9 +mpirun -N 9 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.9 +mpirun -N 9 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.9 +mpirun -N 9 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.9 +mpirun -N 9 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.9 +mpirun -N 9 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.9 +mpirun -N 9 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.9 +mpirun -N 9 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.9 + +mpirun -N 10 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.10 +mpirun -N 10 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.10 +mpirun -N 10 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.10 +mpirun -N 10 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.10 +mpirun -N 10 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.10 +mpirun -N 10 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.10 +mpirun -N 10 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.10 +mpirun -N 10 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.10 +mpirun -N 10 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.10 +mpirun -N 10 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.10 +mpirun -N 10 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.10 +mpirun -N 10 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.10 +mpirun -N 10 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.10 + +mpirun -N 11 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.11 +mpirun -N 11 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.11 +mpirun -N 11 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.11 +mpirun -N 11 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.11 +mpirun -N 11 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.11 +mpirun -N 11 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.11 +mpirun -N 11 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.11 +mpirun -N 11 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.11 +mpirun -N 11 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.11 +mpirun -N 11 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.11 +mpirun -N 11 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.11 +mpirun -N 11 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.11 +mpirun -N 11 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.11 + +mpirun -N 12 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.12 +mpirun -N 12 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.12 +mpirun -N 12 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.12 +mpirun -N 12 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.12 +mpirun -N 12 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.12 +mpirun -N 12 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.12 +mpirun -N 12 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.12 +mpirun -N 12 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.12 +mpirun -N 12 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.12 +mpirun -N 12 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.12 +mpirun -N 12 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.12 +mpirun -N 12 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.12 +mpirun -N 12 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.12 + +mpirun -N 13 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.13 +mpirun -N 13 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.13 +mpirun -N 13 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.13 +mpirun -N 13 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.13 +mpirun -N 13 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.13 +mpirun -N 13 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.13 +mpirun -N 13 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.13 +mpirun -N 13 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.13 +mpirun -N 13 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.13 +mpirun -N 13 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.13 +mpirun -N 13 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.13 +mpirun -N 13 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.13 +mpirun -N 13 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.13 + +mpirun -N 14 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.14 +mpirun -N 14 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.14 +mpirun -N 14 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.14 +mpirun -N 14 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.14 +mpirun -N 14 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.14 +mpirun -N 14 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.14 +mpirun -N 14 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.14 +mpirun -N 14 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.14 +mpirun -N 14 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.14 +mpirun -N 14 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.14 +mpirun -N 14 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.14 +mpirun -N 14 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.14 +mpirun -N 14 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.14 + +mpirun -N 15 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.15 +mpirun -N 15 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.15 +mpirun -N 15 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.15 +mpirun -N 15 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.15 +mpirun -N 15 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.15 +mpirun -N 15 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.15 +mpirun -N 15 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.15 +mpirun -N 15 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.15 +mpirun -N 15 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.15 +mpirun -N 15 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.15 +mpirun -N 15 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.15 +mpirun -N 15 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.15 +mpirun -N 15 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.15 + +mpirun -N 16 ./lmp_cpu -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2K.16 +mpirun -N 16 ./lmp_cpu -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4K.16 +mpirun -N 16 ./lmp_cpu -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8K.16 +mpirun -N 16 ./lmp_cpu -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.16K.16 +mpirun -N 16 ./lmp_cpu -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.32K.16 +mpirun -N 16 ./lmp_cpu -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.64K.16 +mpirun -N 16 ./lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.128K.16 +mpirun -N 16 ./lmp_cpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.256K.16 +mpirun -N 16 ./lmp_cpu -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.512K.16 +mpirun -N 16 ./lmp_cpu -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.1024K.16 +mpirun -N 16 ./lmp_cpu -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.2048K.16 +mpirun -N 16 ./lmp_cpu -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.4096K.16 +mpirun -N 16 ./lmp_cpu -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cpu +mv log.lammps log.28Jun14.lj.cpu.8192K.16 diff --git a/bench/KEPLER/run_gpu.sh b/bench/KEPLER/run_gpu.sh new file mode 100644 index 000000000..33faeccc6 --- /dev/null +++ b/bench/KEPLER/run_gpu.sh @@ -0,0 +1,1658 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.1 +mpirun -N 1 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.1 + +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.2 + +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.3 +mpirun -N 3 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.3 + +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.4 + +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.5 +mpirun -N 5 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.5 + +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.6 + +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.7 +mpirun -N 7 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.7 + +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.8 + +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.9 +mpirun -N 9 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.9 + +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.10 + +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.11 +mpirun -N 11 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.11 + +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.12 + +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.13 +mpirun -N 13 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.13 + +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.14 + +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.15 +mpirun -N 15 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.15 + +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.1.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.1.16 + +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.2 +mpirun -N 2 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.2 + +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.4 +mpirun -N 4 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.4 + +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.6 +mpirun -N 6 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.6 + +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.8 +mpirun -N 8 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.8 + +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.10 +mpirun -N 10 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.10 + +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.12 +mpirun -N 12 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.12 + +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.14 +mpirun -N 14 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.14 + +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.4K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.8K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.16K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.32K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.64K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.128K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.256K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.512K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.1024K.2.16 +mpirun -N 16 ./lmp_gpu_double -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.double.2048K.2.16 + +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.1 +mpirun -N 1 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.1 + +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.2 + +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.3 +mpirun -N 3 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.3 + +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.4 + +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.5 +mpirun -N 5 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.5 + +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.6 + +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.7 +mpirun -N 7 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.7 + +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.8 + +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.9 +mpirun -N 9 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.9 + +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.10 + +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.11 +mpirun -N 11 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.11 + +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.12 + +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.13 +mpirun -N 13 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.13 + +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.14 + +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.15 +mpirun -N 15 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.15 + +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.1.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.1.16 + +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.2 +mpirun -N 2 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.2 + +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.4 +mpirun -N 4 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.4 + +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.6 +mpirun -N 6 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.6 + +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.8 +mpirun -N 8 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.8 + +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.10 +mpirun -N 10 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.10 + +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.12 +mpirun -N 12 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.12 + +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.14 +mpirun -N 14 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.14 + +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.4K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.8K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.16K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.32K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.64K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.128K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.256K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.512K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.1024K.2.16 +mpirun -N 16 ./lmp_gpu_mixed -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.mixed.2048K.2.16 + +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.1 +mpirun -N 1 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.1 + +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.2 + +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.3 +mpirun -N 3 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.3 + +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.4 + +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.5 +mpirun -N 5 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.5 + +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.6 + +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.7 +mpirun -N 7 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.7 + +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.8 + +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.9 +mpirun -N 9 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.9 + +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.10 + +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.11 +mpirun -N 11 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.11 + +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.12 + +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.13 +mpirun -N 13 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.13 + +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.14 + +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.15 +mpirun -N 15 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.15 + +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.1.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.1.16 + +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.2 +mpirun -N 2 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.2 + +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.4 +mpirun -N 4 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.4 + +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.6 +mpirun -N 6 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.6 + +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.8 +mpirun -N 8 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.8 + +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.10 +mpirun -N 10 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.10 + +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.12 +mpirun -N 12 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.12 + +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.14 +mpirun -N 14 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.14 + +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.4K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.8K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.16K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.32K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.64K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.128K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.256K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.512K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.1024K.2.16 +mpirun -N 16 ./lmp_gpu_single -sf gpu -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.gpu +mv log.lammps log.28Jun14.lj.gpu.single.2048K.2.16 diff --git a/bench/KEPLER/run_intel_cpu.sh b/bench/KEPLER/run_intel_cpu.sh new file mode 100644 index 000000000..0cc44a620 --- /dev/null +++ b/bench/KEPLER/run_intel_cpu.sh @@ -0,0 +1,83 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.2K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.4K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.8K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.16K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.32K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.64K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.128K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.256K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.512K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.1024K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.2048K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.4096K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 1 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.single.8192K.16 + +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.2K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.4K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.8K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.16K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.32K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.64K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.128K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.256K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.512K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.1024K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.2048K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.4096K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 3 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.mixed.8192K.16 + +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.2K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.4K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.8K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.16K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.32K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.64K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.128K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.256K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.512K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.1024K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.2048K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.4096K.16 +mpirun -np 16 lmp_intel_cpu -sf intel -v a 2 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.intel.cpu +mv log.lammps log.28Jun14.lj.intel.cpu.double.8192K.16 diff --git a/bench/KEPLER/run_kokkos_cuda.sh b/bench/KEPLER/run_kokkos_cuda.sh new file mode 100644 index 000000000..778cd9acf --- /dev/null +++ b/bench/KEPLER/run_kokkos_cuda.sh @@ -0,0 +1,650 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.1 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 1 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.1 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.2 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 2 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.2 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.3 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 3 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.3 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.4 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 4 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.4 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.5 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 5 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.5 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.6 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 6 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.6 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.7 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 7 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.7 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.8 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 8 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.8 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.9 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 9 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.9 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.10 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 10 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.10 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.11 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 11 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.11 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.12 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 12 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.12 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.13 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 13 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.13 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.14 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 14 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.14 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.15 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 15 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.15 + +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.1.16 +mpirun -np 1 ./lmp_kokkos_cuda -k on g 1 t 16 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.1.16 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.1 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 1 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.1 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.2 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 2 -sf kk -v c device -v x 16 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-v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.7 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 7 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.7 + +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.16K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.32K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.128K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.256K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.512K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.1024K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.2048K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.4096K.2.8 +mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 t 8 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.cuda +mv log.lammps log.28Jun14.lj.kokkos.cuda.8192K.2.8 diff --git a/bench/KEPLER/run_kokkos_omp.sh b/bench/KEPLER/run_kokkos_omp.sh new file mode 100644 index 000000000..b1fa78c79 --- /dev/null +++ b/bench/KEPLER/run_kokkos_omp.sh @@ -0,0 +1,137 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.1.8 +mpirun -np 1 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.1.8 + +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.2.8 +mpirun -np 2 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 8 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.2.8 + +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.4.4 +mpirun -np 4 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 4 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.4.4 + +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.8.2 +mpirun -np 8 -bind-to socket -map-by socket -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 2 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omp +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.8.2 + +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.2K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.4K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.8K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.16K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.32K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.64K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.128K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.256K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.512K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.1024K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.2048K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.4096K.16.1 +mpirun -np 16 -bind-to core -map-by core -x KMP_AFFINITY=scatter ./lmp_kokkos_omp -k on t 1 -sf kk -v c device -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.kokkos.omphalf +mv log.lammps log.28Jun14.lj.kokkos.omp.8192K.16.1 diff --git a/bench/KEPLER/run_opt.sh b/bench/KEPLER/run_opt.sh new file mode 100644 index 000000000..30d80a999 --- /dev/null +++ b/bench/KEPLER/run_opt.sh @@ -0,0 +1,29 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 16 lmp_opt -sf opt -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.2K.16 +mpirun -np 16 lmp_opt -sf opt -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.4K.16 +mpirun -np 16 lmp_opt -sf opt -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.8K.16 +mpirun -np 16 lmp_opt -sf opt -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.16K.16 +mpirun -np 16 lmp_opt -sf opt -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.32K.16 +mpirun -np 16 lmp_opt -sf opt -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.64K.16 +mpirun -np 16 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.128K.16 +mpirun -np 16 lmp_opt -sf opt -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.256K.16 +mpirun -np 16 lmp_opt -sf opt -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.512K.16 +mpirun -np 16 lmp_opt -sf opt -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.1024K.16 +mpirun -np 16 lmp_opt -sf opt -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.2048K.16 +mpirun -np 16 lmp_opt -sf opt -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.4096K.16 +mpirun -np 16 lmp_opt -sf opt -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.opt +mv log.lammps log.28Jun14.lj.opt.8192K.16 diff --git a/bench/KEPLER/run_user_cuda.sh b/bench/KEPLER/run_user_cuda.sh new file mode 100644 index 000000000..7e76177bb --- /dev/null +++ b/bench/KEPLER/run_user_cuda.sh @@ -0,0 +1,164 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.2K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.4K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.8K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.16K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.32K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.64K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.128K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.256K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.512K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.1024K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.2048K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.4096K.1 +mpirun -N 1 ./lmp_cuda_double -c on -sf cuda -v g 1 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.8192K.1 + +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.2K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.4K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.8K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.16K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.32K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.64K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.128K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.256K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.512K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.1024K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.2048K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.4096K.2 +mpirun -N 2 ./lmp_cuda_double -c on -sf cuda -v g 2 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.double.8192K.2 + +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.2K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.4K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.8K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.16K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.32K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.64K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.128K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.256K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.512K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.1024K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.2048K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.4096K.1 +mpirun -N 1 ./lmp_cuda_mixed -c on -sf cuda -v g 1 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.8192K.1 + +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.2K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.4K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.8K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.16K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.32K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.64K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.128K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.256K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.512K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.1024K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.2048K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.4096K.2 +mpirun -N 2 ./lmp_cuda_mixed -c on -sf cuda -v g 2 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.mixed.8192K.2 + +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.2K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.4K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.8K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.16K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.32K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.64K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.128K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.256K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.512K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.1024K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.2048K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.4096K.1 +mpirun -N 1 ./lmp_cuda_single -c on -sf cuda -v g 1 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.8192K.1 + +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 8 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.2K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 8 -v y 8 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.4K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 8 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.8K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.16K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 16 -v y 16 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.32K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 16 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.64K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.128K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.256K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.512K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 64 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.1024K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 64 -v y 64 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.2048K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 64 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.4096K.2 +mpirun -N 2 ./lmp_cuda_single -c on -sf cuda -v g 2 -v x 128 -v y 128 -v z 128 -v t 100 < in.lj.cuda +mv log.lammps log.28Jun14.lj.cuda.single.8192K.2 diff --git a/bench/KEPLER/run_user_omp.sh b/bench/KEPLER/run_user_omp.sh new file mode 100644 index 000000000..0b71f15b5 --- /dev/null +++ b/bench/KEPLER/run_user_omp.sh @@ -0,0 +1,137 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -bind-to none -N 1 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.1.16 +mpirun -bind-to none -N 1 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 16 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.1.16 + +mpirun -bind-to socket -N 2 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.2.8 +mpirun -bind-to socket -N 2 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 8 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.2.8 + +mpirun -bind-to socket -N 4 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.4.4 +mpirun -bind-to socket -N 4 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 4 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.4.4 + +mpirun -bind-to socket -N 8 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.8.2 +mpirun -bind-to socket -N 8 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 2 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.8.2 + +mpirun -bind-to core -N 16 ./lmp_omp -v x 8 -v y 8 -v z 8 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 8 -v y 8 -v z 16 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 8 -v y 16 -v z 16 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 16 -v y 16 -v z 16 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.16K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 16 -v y 16 -v z 32 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.32K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 16 -v y 32 -v z 32 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.64K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 32 -v y 32 -v z 32 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.128K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 32 -v y 32 -v z 64 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.256K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 32 -v y 64 -v z 64 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.512K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 64 -v y 64 -v z 64 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.1024K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 64 -v y 64 -v z 128 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.2048K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 64 -v y 128 -v z 128 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.4096K.16.1 +mpirun -bind-to core -N 16 ./lmp_omp -v x 128 -v y 128 -v z 128 -v t 100 -v h 1 -sf omp < in.lj.omp +mv log.lammps log.28Jun14.lj.omp.8192K.16.1