diff --git a/src/MAKE/MORE/Makefile.openmpi-kissfft b/src/MAKE/MORE/Makefile.openmpi-kissfft deleted file mode 100644 index 7e4194338..000000000 --- a/src/MAKE/MORE/Makefile.openmpi-kissfft +++ /dev/null @@ -1,103 +0,0 @@ -# openmpi-kissfft = Fedora 12, gcc-4.4.3 w/ OpenMP, OpenMPI-1.4.1, internal FFT -# to select openmpi (over mpich) do: module load openmpi-x86_64 -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -OPENMP= -fopenmp - -CC = mpic++ $(OPENMP) -CCFLAGS = -O3 -fomit-frame-pointer -fno-rtti -fno-exceptions \ - -march=native -ffast-math -mpc64 -g -fstrict-aliasing \ - -Wall -Wextra -W -Wno-unused-parameter -Wno-maybe-uninitialized \ - -Wno-sign-compare -DEPFLAGS = -MM -LINK = mpic++ $(OPENMP) -LINKFLAGS = -O -g -fno-rtti -fno-exceptions -mpc64 -LIB = -ldl -lgfortran -ARCHIVE = ar -ARFLAGS = -rcsv -SIZE = size - -# --------------------------------------------------------------------- -# LAMMPS-specific settings -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 \ - -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_FFMPEG - -# 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 = -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package -# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_NONE -FFT_PATH = -FFT_LIB = - -# JPEG library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) -# only needed if -DLAMMPS_JPEG listed with LMP_INC -# INC = path for jpeglib.h -# PATH = path for JPEG library -# LIB = name of JPEG library - -JPG_INC = -JPG_PATH = -JPG_LIB = -ljpeg -lpng - -# --------------------------------------------------------------------- -# build rules and dependencies -# no need to edit this section - -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 target - -lib: $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -# Compilation rules - -%.o:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/Makefile.32-bit b/src/MAKE/Makefile.32-bit deleted file mode 100755 index dd687e5de..000000000 --- a/src/MAKE/Makefile.32-bit +++ /dev/null @@ -1,118 +0,0 @@ -# 32-bit = Linux 32-bit, CentOS 6, gcc-4.7.x, , internal FFT, no MPI, OpenMP - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = g++ -m32 -CCFLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp \ - -ffast-math -fstrict-aliasing -fno-rtti -fno-exceptions \ - -Wall -W -Wno-uninitialized - -SHFLAGS = # -fPIC (not needed on windows, all code is PIC) -DEPFLAGS = -M - -LINK = g++ -m32 -LINKFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp -LIB = -static-libgcc -static-libstdc++ -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# name of object file subdir for libraries in lib with leading '/' -LIBOBJDIR = /Obj_32-bit - -# --------------------------------------------------------------------- -# LAMMPS-specific settings -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) - -LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG #-DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 - -# 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../STUBS -MPI_PATH = -L../STUBS -MPI_LIB = -lmpi_32-bit - -# 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 library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) -# only needed if -DLAMMPS_JPEG listed with LMP_INC -# INC = path for jpeglib.h -# PATH = path for JPEG library -# LIB = name of JPEG 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) - -# Local Variables: -# mode: makefile -# End: diff --git a/src/MAKE/Makefile.fermi b/src/MAKE/Makefile.fermi deleted file mode 100644 index 29a613288..000000000 --- a/src/MAKE/Makefile.fermi +++ /dev/null @@ -1,103 +0,0 @@ -# fermi = Fedora 12 x86_64 Linux box, all native rpms, gfortran 4.4, g++ 4.4/3.4, -# OpenMPI-1.4.1, FFTW-2.1.5, BLAS/LAPACK-3.2.1 - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# generally no need to edit this section -# unless additional compiler/linker flags or libraries needed for your machine - -OMPI_HOME=/usr/lib64/openmpi -CC = $(OMPI_HOME)/bin/mpicxx -CCFLAGS = -O3 -Wall -fexpensive-optimizations -funsafe-math-optimizations -fno-rtti -fno-exceptions -mpc64 -march=native -ffast-math -funroll-loops -funroll-loops -fstrict-aliasing -Wall -DEPFLAGS = -M -LINK = $(CC) -LINKFLAGS = -O2 -march=native -LIB = -ARCHIVE = ar -ARFLAGS = -rc -SIZE = size - -# --------------------------------------------------------------------- -# LAMMPS-specific settings -# edit as needed for your machine - -# LAMMPS ifdef options, see doc/Section_start.html - -LMP_INC = -DLAMMPS_GZIP - -# MPI library, can be src/STUBS dummy lib -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -MPI_PATH = -MPI_LIB = -Wl,-rpath,$(OMPI_HOME)/lib - -# FFT library, can be -DFFT_NONE if not using PPPM from kspace package -# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_FFTW3 -DFFT_SINGLE -FFT_PATH = -FFT_LIB = -lfftw3f - -# additional system libraries needed by LAMMPS package libraries -# these settings are IGNORED if the corresponding LAMMPS package -# (e.g. gpu, meam) is NOT included in the LAMMPS build -# SYSLIB = names of libraries -# SYSPATH = paths of libraries - -#CUDA_HOME = $(HOME)/cuda-2.3 -CUDA_HOME = $(HOME)/cuda -gpu_SYSLIB = -lgpu -lcudart -lcuda -meam_SYSLIB = -lgfortran -reax_SYSLIB = -lgfortran -user-atc_SYSLIB = -lblas -llapack - -gpu_SYSPATH = -L$(CUDA_HOME)/lib64 -L/usr/lib64/nvidia -Wl,-rpath,$(CUDA_HOME)/lib64:/usr/lib64/nvidia -meam_SYSPATH = -reax_SYSPATH = -user-atc_SYSPATH = - -# --------------------------------------------------------------------- -# build rules and dependencies -# no need to edit this section - -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_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 target - -lib: $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -# Compilation rules - -%.o:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -include $(DEPENDS) diff --git a/src/MAKE/Makefile.openmpi-fftw3 b/src/MAKE/Makefile.openmpi-fftw3 deleted file mode 100644 index 8fde7684a..000000000 --- a/src/MAKE/Makefile.openmpi-fftw3 +++ /dev/null @@ -1,99 +0,0 @@ -# openmpi-fftw3 = Fedora 12, gcc-4.4.3, OpenMPI-1.4.1, FFTW-3.2.2 -# to select openmpi (over mpich) do: module load openmpi-x86_64 -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpic++ -CCFLAGS = -O3 -march=native -mpc64 -fno-exceptions -fno-rtti -ffast-math \ - -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized -DEPFLAGS = -MM -LINK = mpic++ -LINKFLAGS = -O -LIB = -Wl,-rpath,/usr/lib64/openmpi/lib -lstdc++ -ARCHIVE = ar -ARFLAGS = -rcsv -SIZE = size - -# --------------------------------------------------------------------- -# LAMMPS-specific settings -# specify settings for LAMMPS features you will use - -# LAMMPS ifdef options, see doc/Section_start.html - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 -DLAMMPS_ASYNC_IMD - -# MPI library, can be src/STUBS dummy lib -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -MPI_PATH = -MPI_LIB = - -# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package -# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_FFTW3 -FFT_PATH = -FFT_LIB = -lfftw3 - -# additional system libraries needed by LAMMPS package libraries -# these settings are IGNORED if the corresponding LAMMPS package -# (e.g. gpu, meam) is NOT included in the LAMMPS build -# SYSLIB = names of libraries -# SYSPATH = paths of libraries - -gpu_SYSLIB = -lcudart -meam_SYSLIB = -lgfortran -reax_SYSLIB = -lgfortran -user-atc_SYSLIB = -lblas -llapack - -gpu_SYSPATH = -L$(HOME)/cuda/lib64 -Wl,-rpath,$(HOME)/cuda/lib64 -meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib -reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib -user-atc_SYSPATH = - -# --------------------------------------------------------------------- -# build rules and dependencies -# no need to edit this section - -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_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 target - -lib: $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -# Compilation rules - -%.o:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/Makefile.openmpi-fftw3f b/src/MAKE/Makefile.openmpi-fftw3f deleted file mode 100644 index 67843d8b5..000000000 --- a/src/MAKE/Makefile.openmpi-fftw3f +++ /dev/null @@ -1,99 +0,0 @@ -# openmpi-fftw3f = Fedora 12, gcc-4.4.3, OpenMPI-1.4.1, FFTW-3.2.2 (single precision) -# to select openmpi (over mpich) do: module load openmpi-x86_64 -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpic++ -CCFLAGS = -O3 -march=native -mpc64 -fno-exceptions -fno-rtti -ffast-math \ - -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized -DEPFLAGS = -MM -LINK = mpic++ -LINKFLAGS = -O -LIB = -Wl,-rpath,/usr/lib64/openmpi/lib -lstdc++ -ARCHIVE = ar -ARFLAGS = -rcsv -SIZE = size - -# --------------------------------------------------------------------- -# LAMMPS-specific settings -# specify settings for LAMMPS features you will use - -# LAMMPS ifdef options, see doc/Section_start.html - -LMP_INC = -DLAMMPS_GZIP #-DLAMMPS_MEMALIGN=64 - -# MPI library, can be src/STUBS dummy lib -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -MPI_PATH = -MPI_LIB = - -# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package -# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_FFTW3 -DFFT_SINGLE -FFT_PATH = -FFT_LIB = -lfftw3f - -# additional system libraries needed by LAMMPS package libraries -# these settings are IGNORED if the corresponding LAMMPS package -# (e.g. gpu, meam) is NOT included in the LAMMPS build -# SYSLIB = names of libraries -# SYSPATH = paths of libraries - -gpu_SYSLIB = -lcudart -meam_SYSLIB = -lgfortran -reax_SYSLIB = -lgfortran -user-atc_SYSLIB = -lblas -llapack - -gpu_SYSPATH = -L$(HOME)/cuda/lib64 -Wl,-rpath,$(HOME)/cuda/lib64 -meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib -reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib -user-atc_SYSPATH = - -# --------------------------------------------------------------------- -# build rules and dependencies -# no need to edit this section - -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_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 target - -lib: $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -# Compilation rules - -%.o:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/Makefile.openmpi-icc b/src/MAKE/Makefile.openmpi-icc deleted file mode 100644 index a9bee6c59..000000000 --- a/src/MAKE/Makefile.openmpi-icc +++ /dev/null @@ -1,100 +0,0 @@ -# openmpi-icc = Fedora 12, Intel C++ 11.1, OpenMPI-1.4.1, MKL 11.1, x86_64 -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = env OMPI_CC=icc OMPI_CXX=icpc mpic++ -CCFLAGS = -O2 -xHOST -no-prec-div -no-prec-sqrt -fast-transcendentals \ - -fno-exceptions -fno-rtti -pc64 -falign-functions=16 \ - -funroll-loops -fstrict-aliasing - -DEPFLAGS = -MM -LINK = env OMPI_CC=icc OMPI_CXX=icpc mpic++ -LINKFLAGS = -O -static-intel -LIB = -Wl,-rpath,/usr/lib64/openmpi/lib #-lstdc++ -ARCHIVE = ar -ARFLAGS = -rcsv -SIZE = size - -# --------------------------------------------------------------------- -# LAMMPS-specific settings -# specify settings for LAMMPS features you will use - -# LAMMPS ifdef options, see doc/Section_start.html - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 - -# MPI library, can be src/STUBS dummy lib -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -MPI_PATH = -MPI_LIB = - -# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package -# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library -MKL_PATH = /opt/intel/Compiler/11.1/072/mkl -FFT_INC = -DFFT_MKL -I$(MKL_PATH)/include -FFT_PATH = -FFT_LIB = -L$(MKL_PATH)/lib/em64t -Wl,-rpath,$(MKL_PATH)/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core - -# additional system libraries needed by LAMMPS package libraries -# these settings are IGNORED if the corresponding LAMMPS package -# (e.g. gpu, meam) is NOT included in the LAMMPS build -# SYSLIB = names of libraries -# SYSPATH = paths of libraries - -gpu_SYSLIB = -lcudart -meam_SYSLIB = -lifcore -lsvml -lompstub -limf -reax_SYSLIB = -lifcore -lsvml -lompstub -limf -user-atc_SYSLIB = -lblas -llapack - -gpu_SYSPATH = -L$(HOME)/cuda/lib64 -Wl,-rpath,$(HOME)/cuda/lib64 -meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib -reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib -user-atc_SYSPATH = - -# --------------------------------------------------------------------- -# build rules and dependencies -# no need to edit this section - -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_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 target - -lib: $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -# Compilation rules - -%.o:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/Makefile.openmpi-mkl b/src/MAKE/Makefile.openmpi-mkl deleted file mode 100644 index f8160f030..000000000 --- a/src/MAKE/Makefile.openmpi-mkl +++ /dev/null @@ -1,100 +0,0 @@ -# openmpi-mkl = Fedora 12, gcc-4.4.3, OpenMPI-1.4.1, FFT from Intel MKL. -# to select openmpi (over mpich) do: module load openmpi-x86_64 - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpic++ -CCFLAGS = -O3 -march=native -mpc64 -fno-exceptions -fno-rtti -ffast-math \ - -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized -DEPFLAGS = -MM -LINK = mpic++ -LINKFLAGS = -O -LIB = -Wl,-rpath,/usr/lib64/openmpi/lib -lstdc++ -ARCHIVE = ar -ARFLAGS = -rcsv -SIZE = size - -# --------------------------------------------------------------------- -# LAMMPS-specific settings -# specify settings for LAMMPS features you will use - -# LAMMPS ifdef options, see doc/Section_start.html - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 - -# MPI library, can be src/STUBS dummy lib -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -MPI_PATH = -MPI_LIB = - -# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package -# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library -MKL_PATH = /opt/intel/Compiler/11.0/083/mkl -FFT_INC = -DFFT_MKL -I$(MKL_PATH)/include -FFT_PATH = -FFT_LIB = -L$(MKL_PATH)/lib/em64t -Wl,-rpath,$(MKL_PATH)/lib/em64t -lmkl_intel_lp64 -lmkl_sequential -lmkl_core - -# additional system libraries needed by LAMMPS package libraries -# these settings are IGNORED if the corresponding LAMMPS package -# (e.g. gpu, meam) is NOT included in the LAMMPS build -# SYSLIB = names of libraries -# SYSPATH = paths of libraries - -gpu_SYSLIB = -lcudart -meam_SYSLIB = -lifcore -lsvml -lompstub -limf -reax_SYSLIB = -lifcore -lsvml -lompstub -limf -user-atc_SYSLIB = -lblas -llapack - -gpu_SYSPATH = -L$(HOME)/cuda/lib64 -Wl,-rpath,$(HOME)/cuda/lib64 -meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib -reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib -user-atc_SYSPATH = - -# --------------------------------------------------------------------- -# build rules and dependencies -# no need to edit this section - -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_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 target - -lib: $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -# Compilation rules - -%.o:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/Makefile.serial-omp b/src/MAKE/Makefile.serial-omp deleted file mode 100755 index 34ea7d0c4..000000000 --- a/src/MAKE/Makefile.serial-omp +++ /dev/null @@ -1,103 +0,0 @@ -# serial-omp = RedHat Linux box, g++4, no MPI, internal FFT, OpenMP - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# generally no need to edit this section -# unless additional compiler/linker flags or libraries needed for your machine -OPENMP=-fopenmp -CC = g++ $(OPENMP) -CCFLAGS = -O2 -fomit-frame-pointer -fno-rtti -fno-exceptions -g \ - -march=native -ffast-math -mpc64 -finline-functions \ - -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized -DEPFLAGS = -M -LINK = g++ $(OPENMP) -LINKFLAGS = -O -g -fno-rtti -fno-exceptions -mpc64 -LIB = -ARCHIVE = ar -ARFLAGS = -rcsv -SIZE = size - -# --------------------------------------------------------------------- -# LAMMPS-specific settings -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings, OPTIONAL -# see possible settings in doc/Section_start.html#2_2 (step 4) - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_MEMALIGN=64 -DLAMMPS_JPEG - -# MPI library, REQUIRED -# see discussion in doc/Section_start.html#2_2 (step 5) -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -I../STUBS -MPI_PATH = -MPI_LIB = -L../STUBS -lmpi_stubs - -# 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 library, OPTIONAL -# see discussion in doc/Section_start.html#2_2 (step 7) -# only needed if -DLAMMPS_JPEG listed with LMP_INC -# INC = path for jpeglib.h -# PATH = path for JPEG library -# LIB = name of JPEG 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 target - -lib: $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -# Compilation rules - -%.o:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS)