diff --git a/src/MAKE/Makefile.g++3 b/src/MAKE/Makefile.g++3 new file mode 100755 index 0000000000..8401cd422a --- /dev/null +++ b/src/MAKE/Makefile.g++3 @@ -0,0 +1,93 @@ +# g++3 = RedHat Linux box, g++ (v3), Intel ifort, MPICH2, FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = g++ +CCFLAGS = -g -O +DEPFLAGS = -M +LINK = g++ +LINKFLAGS = -g -O +LIB = +ARCHIVE = ar +ARFLAGS = -rc +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 + +# 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 = -DMPICH_IGNORE_CXX_SEEK +MPI_PATH = +MPI_LIB = -lmpich -lpthread + +# 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_FFTW +FFT_PATH = +FFT_LIB = -lfftw + +# 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/usr/local/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) $(PKG_SYSLIB) + +# Link target + +$(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.lam b/src/MAKE/Makefile.lam new file mode 100644 index 0000000000..c9048c16eb --- /dev/null +++ b/src/MAKE/Makefile.lam @@ -0,0 +1,93 @@ +# lam = FreeBSD box, mpic++, Intel ifort, LAM/MPI, FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = mpic++ +CCFLAGS = -O3 +DEPFLAGS = -M +LINK = mpic++ +LINKFLAGS = -O3 +LIB = -lstdc++ +ARCHIVE = ar +ARFLAGS = -rc +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 + +# 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 = -lmpi + +# 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_FFTW +FFT_PATH = +FFT_LIB = -lfftw + +# 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/usr/local/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) $(PKG_SYSLIB) + +# Link target + +$(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.mkl b/src/MAKE/Makefile.mkl new file mode 100644 index 0000000000..2465b999a5 --- /dev/null +++ b/src/MAKE/Makefile.mkl @@ -0,0 +1,99 @@ +# mkl = Intel Cluster Tools, mpiicc, MKL MPI, MKL FFT + +# Intel recommends Intel Cluster Tools Compiler Edition +# to build libfftw2xc_intel.a: +# > cd /opt/intel/mkl/10.0.011/interfaces/fftw2xc +# > become root via su +# > gmake libem64t + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = mpiicc +CCFLAGS = -O3 -fno-alias -ip -unroll0 +DEPFLAGS = -M +LINK = mpiicc +LINKFLAGS = -O -L/opt/intel/mkl/10.0.011/lib/em64t +LIB = -lstdc++ -lpthread -lmkl_em64t -lguide +ARCHIVE = ar +ARFLAGS = -rc +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 + +# 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 = -DMPICH_IGNORE_CXX_SEEK +MPI_PATH = +MPI_LIB = -mt_mpi + +# 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_FFTW -I/opt/intel/mkl/10.0.011/include/fftw +FFT_PATH = +FFT_LIB = /opt/intel/mkl/10.0.011/lib/em64t/libfftw2xc_intel.a + +# 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/usr/local/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) $(PKG_SYSLIB) + +# Link target + +$(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.pgi b/src/MAKE/Makefile.pgi new file mode 100644 index 0000000000..64289fddf7 --- /dev/null +++ b/src/MAKE/Makefile.pgi @@ -0,0 +1,93 @@ +# pgi = Portland Group compiler, pgCC, MPICH, FFTW + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = pgCC +CCFLAGS = -fast +DEPFLAGS = -M +LINK = pgCC +LINKFLAGS = +LIB = -lstdc++ +ARCHIVE = ar +ARFLAGS = -rc +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 + +# 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 = -I/usr/local/mpich-1.2.6/pg/include +MPI_PATH = -L/usr/local/mpich-1.2.6/pg/lib +MPI_LIB = -lmpich + +# 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_FFTW +FFT_PATH = +FFT_LIB = -lfftw + +# 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/usr/local/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) $(PKG_SYSLIB) + +# Link target + +$(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.sgi b/src/MAKE/Makefile.sgi new file mode 100644 index 0000000000..43583c25d0 --- /dev/null +++ b/src/MAKE/Makefile.sgi @@ -0,0 +1,93 @@ +# sgi = SGI Origin 350 64-bit, SGI MIPSpro CC, SGI MPI, SGI SCSL MP FFTs + +SHELL = /bin/sh + +# --------------------------------------------------------------------- +# compiler/linker settings +# specify flags and libraries needed for your compiler + +CC = CC +CCFLAGS = -64 -O -mp +DEPFLAGS = -M +LINK = CC +LINKFLAGS = -O +LIB = -lstdc++ +ARCHIVE = ar +ARFLAGS = -rc +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 + +# 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_SCSL +FFT_PATH = +FFT_LIB = + +# 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/usr/local/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) $(PKG_SYSLIB) + +# Link target + +$(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)