diff --git a/bench/KEPLER/Makefile.omp b/bench/KEPLER/Makefile.omp index 41c430f0f..d8ac8e1ae 100755 --- a/bench/KEPLER/Makefile.omp +++ b/bench/KEPLER/Makefile.omp @@ -1,108 +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 +CCFLAGS = -O3 -openmp -restrict -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 index f27d7e930..a1855156a 100755 --- a/bench/KEPLER/Makefile.opt +++ b/bench/KEPLER/Makefile.opt @@ -1,108 +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 +CCFLAGS = -O -restrict 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 index feee3e0b4..0bf19945f 100644 --- a/bench/KEPLER/README +++ b/bench/KEPLER/README @@ -1,71 +1,68 @@ These are build and input and run scripts used to run the LJ benchmark in the top-level bench directory using all the various accelerator packages currently available in LAMMPS. The results of running these benchmarks on a GPU cluster with Kepler GPUs are shown on the "GPU (Kepler)" section of the Benchmark page of the LAMMPS WWW site: lammps.sandia.gov/bench. The specifics of the benchmark machine are as follows: It is a small GPU cluster at Sandia National Labs called "shannon". It has 32 nodes, each with two 8-core Sandy Bridge Xeon CPUs (E5-2670, 2.6GHz, HT deactivated), for a total of 512 cores. Twenty-four of the nodes have two NVIDIA Kepler GPUs (K20x, 2688 732 MHz cores). LAMMPS was compiled with the Intel icc compiler, using module openmpi/1.8.1/intel/13.1.SP1.106/cuda/6.0.37. ------------------------------------------------------------------------ You can, of course, build LAMMPS yourself with any of the accelerator -packages for your platform. +packages installed for your platform. The build.py script will build LAMMPS for the various accelerlator packages using the Makefile.* files in this dir, which you can edit if necessary for your platform. You must set the "lmpdir" variable at the top of build.py to the home directory of LAMMPS as installed on your system. Note that the build.py script hardcodes the arch setting for the USER-CUDA package, which should be matched to the GPUs on your system, e.g. sm_35 for Kepler GPUs. For the GPU package, this setting is in the Makefile.gpu.* files, as is the CUDA_HOME variable which should point to where NVIDIA Cuda software is installed on your system. Once the Makefiles are in place, then typing, for example, python build.py cpu gpu will build executables for the CPU (no accelerators), and 3 variants (double, mixed, single precision) of the GPU package. See the list of possible targets at the top of the build.py script. Note that the build.py script will un-install all packages in your LAMMPS directory, then only install the ones needed for the benchmark. The Makefile.* files in this dir are copied into lammps/src/MAKE, as a dummy Makefile.foo, so they will not conflict with makefiles that may already be there. The build.py script also builds the auxiliary GPU and USER-CUDA library as needed. LAMMPS executables that are generated by build.py are copied into this directory when the script finishes each build. ------------------------------------------------------------------------ -The in.* files have settings for the benchmark appopriate to each -accelerator package. Many of them, including the problem size, -and number of timsteps, must be set as command-line arguments -when the input script is run. - ------------------------------------------------------------------------- +The in.* files can be run with any of the accelerator packages, +if you specify the appropriate command-line switches. These +include switches to set the problem size and number of timesteps +to run. The run*.sh scripts have sample mpirun commands for running the input scripts on a single node or on multiple nodes for the strong and weak scaling results shown on the benchmark web page. These scripts are provided for illustration purposes, to show what command-line -arguments are used with each accelerator package, in combination with -settings in the input scripts themselves. +arguments are used with each accelerator package. Note that we generate these run scripts, either for interactive or -batch submission, via Python scripts which produce a long list of runs -to exercise a combination of options. To perform a quick benchmark -calculation on your platform, you will typically only want to run a -few commands out of any of the run*.sh scripts. +batch submission, via Python scripts which often produces a long list +of runs to exercise a combination of options. To perform a quick +benchmark calculation on your platform, you will typically only want +to run a few commands out of any of the run*.sh scripts. diff --git a/bench/KEPLER/run_cpu.sh b/bench/KEPLER/run_cpu.sh index b08d606c9..78fe313a2 100644 --- a/bench/KEPLER/run_cpu.sh +++ b/bench/KEPLER/run_cpu.sh @@ -1,434 +1,29 @@ #!/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 -np 1 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.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 -np 2 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.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 -np 4 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.4 -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 -np 6 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.6 -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 -np 8 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.8 -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 -np 10 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.10 -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 -np 12 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.12 -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 -np 14 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.14 -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 +mpirun -np 16 lmp_cpu -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cpu.128K.16 diff --git a/bench/KEPLER/run_cuda.sh b/bench/KEPLER/run_cuda.sh new file mode 100644 index 000000000..6805a0892 --- /dev/null +++ b/bench/KEPLER/run_cuda.sh @@ -0,0 +1,20 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -N 1 lmp_cuda_double -c on -sf cuda -pk cuda 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cuda.double.128K.1 + +mpirun -N 2 lmp_cuda_double -c on -sf cuda -pk cuda 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cuda.double.128K.2 + +mpirun -N 1 lmp_cuda_mixed -c on -sf cuda -pk cuda 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cuda.mixed.128K.1 + +mpirun -N 2 lmp_cuda_mixed -c on -sf cuda -pk cuda 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cuda.mixed.128K.2 + +mpirun -N 1 lmp_cuda_single -c on -sf cuda -pk cuda 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cuda.single.128K.1 + +mpirun -N 2 lmp_cuda_single -c on -sf cuda -pk cuda 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.cuda.single.128K.2 diff --git a/bench/KEPLER/run_gpu.sh b/bench/KEPLER/run_gpu.sh index 33faeccc6..80210f988 100644 --- a/bench/KEPLER/run_gpu.sh +++ b/bench/KEPLER/run_gpu.sh @@ -1,1658 +1,155 @@ #!/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 -np 1 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.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 -np 2 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.2.1 -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 -np 2 lmp_gpu_single -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.2.2 -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 -np 4 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.4.1 -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 -np 4 lmp_gpu_single -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.4.2 -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 -np 6 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.6.1 -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 -np 6 lmp_gpu_single -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.6.2 -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 -np 8 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.8.1 -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 -np 8 lmp_gpu_single -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.8.2 -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 -np 10 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.10.1 -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 -np 10 lmp_gpu_single -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.10.2 -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 -np 12 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.12.1 -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 -np 12 lmp_gpu_single -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.12.2 -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 -np 14 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.14.1 -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 -np 14 lmp_gpu_single -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.14.2 -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 -np 16 lmp_gpu_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.16.1 -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 -np 16 lmp_gpu_single -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.single.128K.16.2 -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 -np 1 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.1.1 -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 -np 2 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.2.1 -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 -np 2 lmp_gpu_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.2.2 -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 -np 4 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.4.1 -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 -np 4 lmp_gpu_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.4.2 -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 -np 6 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.6.1 -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 -np 6 lmp_gpu_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.6.2 -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 -np 8 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.8.1 -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 -np 8 lmp_gpu_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.8.2 -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 -np 10 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.10.1 -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 -np 10 lmp_gpu_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.10.2 -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 -np 12 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.12.1 -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 -np 12 lmp_gpu_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.12.2 -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 -np 14 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.14.1 -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 -np 14 lmp_gpu_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.14.2 -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 -np 16 lmp_gpu_mixed -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.16.1 -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 -np 16 lmp_gpu_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.mixed.128K.16.2 -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 -np 1 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.1.1 -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 -np 2 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.2.1 -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 -np 2 lmp_gpu_double -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.2.2 -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 -np 4 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.4.1 -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 -np 4 lmp_gpu_double -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.4.2 -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 -np 6 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.6.1 -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 -np 6 lmp_gpu_double -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.6.2 -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 -np 8 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.8.1 -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 -np 8 lmp_gpu_double -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.8.2 -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 -np 10 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.10.1 -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 -np 10 lmp_gpu_double -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.10.2 -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 -np 12 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.12.1 -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 -np 12 lmp_gpu_double -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.12.2 -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 -np 14 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.14.1 -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 -np 14 lmp_gpu_double -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.14.2 -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 -np 16 lmp_gpu_double -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.16.1 -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 +mpirun -np 16 lmp_gpu_double -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.gpu.double.128K.16.2 diff --git a/bench/KEPLER/run_intel_cpu.sh b/bench/KEPLER/run_intel_cpu.sh index 0cc44a620..f185dfe05 100644 --- a/bench/KEPLER/run_intel_cpu.sh +++ b/bench/KEPLER/run_intel_cpu.sh @@ -1,83 +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 +mpirun -np 1 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.1 + +mpirun -np 2 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.2 + +mpirun -np 4 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.4 + +mpirun -np 6 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.6 + +mpirun -np 8 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.8 + +mpirun -np 10 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.10 + +mpirun -np 12 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.12 + +mpirun -np 14 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.14 + +mpirun -np 16 lmp_intel_cpu -sf intel -pk intel 1 prec single -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.single.128K.16 + +mpirun -np 1 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.1 + +mpirun -np 2 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.2 + +mpirun -np 4 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.4 + +mpirun -np 6 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.6 + +mpirun -np 8 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.8 + +mpirun -np 10 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.10 + +mpirun -np 12 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.12 + +mpirun -np 14 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.14 + +mpirun -np 16 lmp_intel_cpu -sf intel -pk intel 1 prec mixed -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.mixed.128K.16 + +mpirun -np 1 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.1 + +mpirun -np 2 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.2 + +mpirun -np 4 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.4 + +mpirun -np 6 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.6 + +mpirun -np 8 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.8 + +mpirun -np 10 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.10 + +mpirun -np 12 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.12 + +mpirun -np 14 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.14 + +mpirun -np 16 lmp_intel_cpu -sf intel -pk intel 1 prec double -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.intel.cpu.double.128K.16 diff --git a/bench/KEPLER/run_kokkos_cuda.sh b/bench/KEPLER/run_kokkos_cuda.sh index 778cd9acf..c0fb80bd0 100644 --- a/bench/KEPLER/run_kokkos_cuda.sh +++ b/bench/KEPLER/run_kokkos_cuda.sh @@ -1,650 +1,74 @@ #!/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 1 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 2 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 3 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 4 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 5 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 6 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 7 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 8 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 9 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 10 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 11 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 12 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 13 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 14 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 15 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 1 lmp_kokkos_cuda -k on g 1 t 16 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 1 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 -v y 32 -v z 32 -v t 100 < in.lj.kokkos.cuda -mv log.lammps log.28Jun14.lj.kokkos.cuda.64K.2.2 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.2 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.2 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.2 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.2 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.2 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.2 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.2 +mpirun -np 2 lmp_kokkos_cuda -k on g 2 t 2 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.2.2 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.3 +mpirun -np 2 lmp_kokkos_cuda -k on g 2 t 3 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.2.3 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.4 +mpirun -np 2 lmp_kokkos_cuda -k on g 2 t 4 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.2.4 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.5 +mpirun -np 2 lmp_kokkos_cuda -k on g 2 t 5 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.2.5 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.6 +mpirun -np 2 lmp_kokkos_cuda -k on g 2 t 6 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.2.6 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.7 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.7 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.7 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.7 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.2.7 -mpirun -np 2 ./lmp_kokkos_cuda -k on g 2 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.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 7 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.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 +mpirun -np 2 lmp_kokkos_cuda -k on g 2 t 8 -sf kk -pk kokkos binsize 2.8 comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.cuda.128K.2.8 diff --git a/bench/KEPLER/run_kokkos_omp.sh b/bench/KEPLER/run_kokkos_omp.sh index b1fa78c79..29af431c9 100644 --- a/bench/KEPLER/run_kokkos_omp.sh +++ b/bench/KEPLER/run_kokkos_omp.sh @@ -1,137 +1,17 @@ #!/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 full -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 16 -sf kk -pk kokkos neigh full newton off comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.omp.128K.1.16 -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 full -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 8 -sf kk -pk kokkos neigh full newton off comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.omp.128K.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 full -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 4 -sf kk -pk kokkos neigh full newton off comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.omp.128K.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 full -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 2 -sf kk -pk kokkos neigh full newton off comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.omp.128K.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 +mpirun -np half -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 1 -sf kk -pk kokkos neigh half newton on comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.kokkos.omp.128K.16.1 diff --git a/bench/KEPLER/run_omp.sh b/bench/KEPLER/run_omp.sh new file mode 100644 index 000000000..8e91ad894 --- /dev/null +++ b/bench/KEPLER/run_omp.sh @@ -0,0 +1,17 @@ +#!/bin/bash +#SBATCH -N 1 --time=12:00:00 + +mpirun -np 1 lmp_omp -sf omp -pk omp 16 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.omp.128K.1.16 + +mpirun -np 2 lmp_omp -sf omp -pk omp 8 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.omp.128K.2.8 + +mpirun -np 4 lmp_omp -sf omp -pk omp 4 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.omp.128K.4.4 + +mpirun -np 8 lmp_omp -sf omp -pk omp 2 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.omp.128K.8.2 + +mpirun -np 16 lmp_omp -sf omp -pk omp 1 -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.omp.128K.16.1 diff --git a/bench/KEPLER/run_opt.sh b/bench/KEPLER/run_opt.sh index 30d80a999..c2772aabc 100644 --- a/bench/KEPLER/run_opt.sh +++ b/bench/KEPLER/run_opt.sh @@ -1,29 +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 +mpirun -np 1 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.1 + +mpirun -np 2 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.2 + +mpirun -np 4 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.4 + +mpirun -np 6 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.6 + +mpirun -np 8 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.8 + +mpirun -np 10 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.10 + +mpirun -np 12 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.12 + +mpirun -np 14 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.14 + +mpirun -np 16 lmp_opt -sf opt -v x 32 -v y 32 -v z 32 -v t 100 < in.lj +mv log.lammps log.10Sep14.lj.opt.128K.16 diff --git a/bench/KEPLER/run_user_cuda.sh b/bench/KEPLER/run_user_cuda.sh deleted file mode 100644 index 7e76177bb..000000000 --- a/bench/KEPLER/run_user_cuda.sh +++ /dev/null @@ -1,164 +0,0 @@ -#!/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 deleted file mode 100644 index 0b71f15b5..000000000 --- a/bench/KEPLER/run_user_omp.sh +++ /dev/null @@ -1,137 +0,0 @@ -#!/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