diff --git a/src/MAKE/MACHINES/Makefile.beacon b/src/MAKE/MACHINES/Makefile.beacon deleted file mode 100755 index f547c2e7f..000000000 --- a/src/MAKE/MACHINES/Makefile.beacon +++ /dev/null @@ -1,116 +0,0 @@ -# linux = RedHat Linux box, Intel icc, MPICH2, FFTW - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpiicpc -openmp -DLMP_INTEL_OFFLOAD -DLAMMPS_MEMALIGN=64 -MIC_OPT = -offload-option,mic,compiler,"-fp-model fast=2 -mGLOB_default_function_attrs=\"gather_scatter_loop_unroll=4\"" -CCFLAGS = -O3 -xAVX -fno-alias -ansi-alias -restrict -override-limits $(MIC_OPT) -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpiicpc -openmp -LINKFLAGS = -O3 -xAVX -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_MKL -DFFT_SINGLE -I$(MKLROOT) -FFT_PATH = -FFT_LIB = -L$(MKLROOT) -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.bgl b/src/MAKE/MACHINES/Makefile.bgl deleted file mode 100644 index 47e084216..000000000 --- a/src/MAKE/MACHINES/Makefile.bgl +++ /dev/null @@ -1,121 +0,0 @@ -# bgl = LLNL Blue Gene Light machine, xlC, native MPI, FFTW - -SHELL = /bin/sh -.SUFFIXES: .cpp .u - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = /opt/ibmcmp/vacpp/7.0/bin/blrts_xlC -CCFLAGS = -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = /opt/ibmcmp/vacpp/7.0/bin/blrts_xlC -LINKFLAGS = -O \ - -L/opt/ibmcmp/xlf/9.1/blrts_lib \ - -L/opt/ibmcmp/vacpp/7.0/blrts_lib \ - -L/bgl/local/lib \ - -L/bgl/local/bglfftwgel-2.1.5.pre5/lib -LIB = -lxlopt -lxlomp_ser -lxl -lxlfmath -lm \ - -lmsglayer.rts -lrts.rts -ldevices.rts -lmassv -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = -lmpich.rts - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -FFT_PATH = -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.bgq b/src/MAKE/MACHINES/Makefile.bgq deleted file mode 100644 index c4081b04a..000000000 --- a/src/MAKE/MACHINES/Makefile.bgq +++ /dev/null @@ -1,56 +0,0 @@ -# bgq = IBM Blue Gene/Q, multiple compiler options, native MPI, ALCF FFTW2 - -SHELL = /bin/bash -.SUFFIXES: .cpp .u - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not edit this section -# select which compiler by editing Makefile.bgq.details - -include ../MAKE/Makefile.bgq.details - -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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.bgq.details b/src/MAKE/MACHINES/Makefile.bgq.details deleted file mode 100644 index 8c81bd1cf..000000000 --- a/src/MAKE/MACHINES/Makefile.bgq.details +++ /dev/null @@ -1,118 +0,0 @@ -# multiple compiler options for BGQ - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -# uncomment one and only one of the following three lines -# to choose a compiler toolchain - -#COMPILER = GCC -#COMPILER = LLVM -COMPILER = XLC - -ifeq ($(COMPILER),XLC) -CC = /bgsys/drivers/ppcfloor/comm/xl.ndebug/bin/mpixlcxx_r -CCFLAGS = -O3 -qarch=qp -qtune=qp -qsmp=omp -qsimd=auto -qhot=level=2 -qprefetch -qunroll=yes -FC = /bgsys/drivers/ppcfloor/comm/xl.ndebug/bin/mpixlf90_r -FFLAGS = -O3 -qarch=qp -qtune=qp -qsimd=auto -qhot=level=2 -qprefetch -qunroll=yes -qsmp=omp -qextname -qnosave -DEPFLAGS = -M -qmakedep=gcc -endif - -ifeq ($(COMPILER),GCC) -CC = /bgsys/drivers/ppcfloor/comm/gcc.legacy/bin/mpicxx -CCFLAGS = -O3 -fopenmp -FC = /bgsys/drivers/ppcfloor/comm/gcc.legacy/bin/mpif90 -FFLAGS = -O3 -fopenmp -DEPFLAGS = -M -endif - -ifeq ($(COMPILER),LLVM) -#CC = bgclang++ -CC = /home/projects/llvm/mpi/bgclang/bin/mpiclang++ -CCFLAGS = -O3 -fopenmp -DEPFLAGS = -M -FC = /bin/false -FFLAGS = LLVM does not have a Fortran front-end! -endif - -LINK = $(CC) -LINKFLAGS = $(CCFLAGS) - -ifeq ($(COMPILER),XLC) - MASS_LIB = ${IBM_MAIN_DIR}/xlmass/bg/7.3/bglib64 - XLF_LIB = ${IBM_MAIN_DIR}/xlf/bg/14.1/bglib64 - XLSMP_LIB = ${IBM_MAIN_DIR}/xlsmp/bg/3.1/bglib64 - LIB += -L${MASS_LIB} -L${XLF_LIB} -L${XLSMP_LIB} - LIB += -lmassv -lmass - LIB += -lxlf90_r -lxlsmp -lxlopt -lxlfmath -lxl -endif - -ifeq ($(COMPILER),GCC) -# libm is definitely slower than libmass... - LIB += -lm -lgfortran -endif - -ifeq ($(COMPILER),LLVM) - SLEEF_DIR = /home/projects/llvm/sleef - LIB += -L${SLEEF_DIR}/lib -lsleef -endif - -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc - -# BGQ should not use shared libraries - -SHFLAGS = -SHLIBFLAGS = - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -MPI_PATH = -MPI_LIB = - -MPI_INC += -DMPICH_SKIP_MPICXX -MPI_LIB += #/home/jhammond/OSPRI/branches/marpn/wrap/libmpiarbrpn.a - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -I/soft/libraries/alcf/current/xl/FFTW2/include -DFFT_FFTW -DFFTW_SIZE -FFT_PATH = #/soft/libraries/alcf/current/xl/FFTW2 -FFT_LIB = -L/soft/libraries/alcf/current/xl/FFTW2/lib -ldfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - diff --git a/src/MAKE/MACHINES/Makefile.chama b/src/MAKE/MACHINES/Makefile.chama deleted file mode 100644 index ef6d25ebc..000000000 --- a/src/MAKE/MACHINES/Makefile.chama +++ /dev/null @@ -1,115 +0,0 @@ -# chama - Intel SandyBridge, mpic++, openmpi, no FFTW - -# need to load the following modules: -# 1) intel/12.1 -# 2) openmpi-intel/1.4 - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpic++ -CCFLAGS = -O3 -axAVX -funroll-loops -fstrict-aliasing -openmp -DEPFLAGS = -M -LINK = mpic++ -LINKFLAGS = -O3 -axAVX -openmp -LIB = -lstdc++ -ARCHIVE = ar -ARFLAGS = -rcsv -SIZE = size - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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 -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -I${FFTW_INCLUDE} -#FFT_PATH = -L${FFTW_LIB} -#FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.cygwin b/src/MAKE/MACHINES/Makefile.cygwin deleted file mode 100644 index 41e9d811d..000000000 --- a/src/MAKE/MACHINES/Makefile.cygwin +++ /dev/null @@ -1,115 +0,0 @@ -# cygwin = Windows Cygwin, mpicxx, MPICH, FFTW - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -O -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -L/cygdrive/c/cygwin/mpich2-1.0.4p1/lib -MPI_LIB = -lmpich - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -I/cygdrive/c/cygwin/usr/local/include -FFT_PATH = -L/cygdrive/c/cygwin/usr/local/lib -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.glory b/src/MAKE/MACHINES/Makefile.glory deleted file mode 100644 index 154c194b4..000000000 --- a/src/MAKE/MACHINES/Makefile.glory +++ /dev/null @@ -1,132 +0,0 @@ -# glory = Linux cluster with 4-way quad cores, Intel mpicxx, native MPI, FFTW - -SHELL = /bin/sh - -# this Makefile builds LAMMPS for mvapich running on Glory -# to invoke this Makefile, you need these modules loaded: -# compilers/intel-11.1-f064-c064 -# mpi/mvapich-1.1_intel-11.1-f064-c064 -# libraries/fftw-2.1.5 -# you can determine which modules are loaded by typing: -# module list -# these modules are not the default ones, but can be enabled by -# lines like this in your .cshrc or other start-up shell file -# or by typing them before you build LAMMPS: -# module swap mpi misc/env-mvapich -# module load compilers/intel-11.1-f064-c064 -# module load mpi/mvapich-1.1_intel-11.1-f064-c064 -# module load libraries/fftw-2.1.5 -# these same modules need to be loaded to submit a LAMMPS job, -# either interactively or via a batch script - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -O -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -O -LIB = -lstdc++ -lm -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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 -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -I${FFTW_INCLUDE} -FFT_PATH = -L${FFTW_LIB} -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.jaguar b/src/MAKE/MACHINES/Makefile.jaguar deleted file mode 100644 index cc550becb..000000000 --- a/src/MAKE/MACHINES/Makefile.jaguar +++ /dev/null @@ -1,115 +0,0 @@ -# jaguar = ORNL Jaguar Cray XT5, CC, native MPICH, FFTW - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CXX = CC -CCFLAGS = -g -O -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = $(CXX) -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DNODE_PARTITION - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = -lmpich -lpthread - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_FFTW3 -I$(FFTW_INC) -FFT_PATH = -L$(FFTW_DIR) -FFT_LIB = -lfftw3 - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.mac b/src/MAKE/MACHINES/Makefile.mac deleted file mode 100755 index 99420e6e1..000000000 --- a/src/MAKE/MACHINES/Makefile.mac +++ /dev/null @@ -1,115 +0,0 @@ -# mac = Apple PowerBook G4 laptop, c++, no MPI, FFTW 2.1.5 - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = c++ -CCFLAGS = -O -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = c++ -LINKFLAGS = -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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_stubs - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -FFT_PATH = -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.mac_mpi b/src/MAKE/MACHINES/Makefile.mac_mpi deleted file mode 100755 index fc8bf69de..000000000 --- a/src/MAKE/MACHINES/Makefile.mac_mpi +++ /dev/null @@ -1,118 +0,0 @@ -# mac_mpi = Apple laptop, MacPorts Open MPI 1.4.3, gcc 4.8, fftw, jpeg - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# generally no need to edit this section -# unless additional compiler/linker flags or libraries needed for your machine - -CC = /opt/local/bin/mpicxx-openmpi-mp -CCFLAGS = -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = /opt/local/bin/mpicxx-openmpi-mp -LINKFLAGS = -O3 -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DOMPI_SKIP_MPICXX -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFTW = /usr/local - -FFT_INC = -DFFT_FFTW -I${FFTW}/include -FFT_PATH = -L${FFTW}/lib -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = -I/opt/local/include -JPG_PATH = -L/opt/local/lib -JPG_LIB = -ljpeg - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.mingw32-cross b/src/MAKE/MACHINES/Makefile.mingw32-cross deleted file mode 100644 index 66366cdc7..000000000 --- a/src/MAKE/MACHINES/Makefile.mingw32-cross +++ /dev/null @@ -1,120 +0,0 @@ -# mingw32-cross = Win 32-bit, gcc-4.7.1, MinGW, internal FFT, no MPI, OpenMP - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = i686-w64-mingw32-g++ -CCFLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp \ - -ffast-math -fstrict-aliasing -Wall -W -Wno-uninitialized - -SHFLAGS = # -fPIC (not needed on windows, all code is PIC) -DEPFLAGS = -M - -LINK = i686-w64-mingw32-g++ -static -LINKFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp -LIB = -lwsock32 -static-libgcc -lquadmath -lpsapi -SIZE = i686-w64-mingw32-size - -ARCHIVE = i686-w64-mingw32-ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# name of object file subdir for libraries in lib with leading '/' -LIBOBJDIR = /Obj_mingw32 - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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_mingw32 - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 -lpng -lz - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.mingw32-cross-mpi b/src/MAKE/MACHINES/Makefile.mingw32-cross-mpi deleted file mode 100644 index 5205312c8..000000000 --- a/src/MAKE/MACHINES/Makefile.mingw32-cross-mpi +++ /dev/null @@ -1,120 +0,0 @@ -# mingw32-cross-mpi = Win 32-bit, gcc-4.7.1, MinGW, internal FFT, MPICH2, OpenMP - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = i686-w64-mingw32-g++ -CCFLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp \ - -ffast-math -fstrict-aliasing -Wall -W -Wno-uninitialized - -SHFLAGS = # -fPIC (not needed on windows, all code is PIC) -DEPFLAGS = -M - -LINK = i686-w64-mingw32-g++ -static -LINKFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 -fopenmp -LIB = -lwsock32 -static-libgcc -lquadmath -lpsapi -SIZE = i686-w64-mingw32-size - -ARCHIVE = i686-w64-mingw32-ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# name of object file subdir for libraries in lib with leading '/' -LIBOBJDIR = /Obj_mingw32-mpi - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_SMALLSMALL -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -I../../tools/mingw-cross/mpich2-win32/include -DMPICH_SKIP_MPICXX -MPI_PATH = -L../../tools/mingw-cross/mpich2-win32/lib -MPI_LIB = -lmpi - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 -lpng -lz - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.mingw64-cross b/src/MAKE/MACHINES/Makefile.mingw64-cross deleted file mode 100644 index 661d61b06..000000000 --- a/src/MAKE/MACHINES/Makefile.mingw64-cross +++ /dev/null @@ -1,120 +0,0 @@ -# mingw64-cross = Win 64-bit, gcc-4.7.1, MinGW, internal FFT, no MPI, OpenMP - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = x86_64-w64-mingw32-g++ -CCFLAGS = -O3 -march=core2 -mtune=core2 -mpc64 -msse2 -fopenmp \ - -ffast-math -fstrict-aliasing -Wall -W -Wno-uninitialized - -SHFLAGS = # -fPIC (not needed on windows, all code is PIC) -DEPFLAGS = -M - -LINK = x86_64-w64-mingw32-g++ -static -LINKFLAGS = -O2 -march=core2 -mtune=core2 -mpc64 -msse2 -fopenmp -LIB = -lwsock32 -static-libgcc -lquadmath -lpsapi -SIZE = x86_64-w64-mingw32-size - -ARCHIVE = x86_64-w64-mingw32-ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# name of object file subdir for libraries in lib with leading '/' -LIBOBJDIR = /Obj_mingw64 - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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_mingw64 - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 -lpng -lz - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.mingw64-cross-mpi b/src/MAKE/MACHINES/Makefile.mingw64-cross-mpi deleted file mode 100644 index ea4211605..000000000 --- a/src/MAKE/MACHINES/Makefile.mingw64-cross-mpi +++ /dev/null @@ -1,120 +0,0 @@ -# mingw64-cross-mpi = Win 64-bit, gcc-4.7.1, MinGW, internal FFT, MPICH2, OpenMP - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = x86_64-w64-mingw32-g++ -CCFLAGS = -O3 -march=core2 -mtune=core2 -mpc64 -msse2 -fopenmp \ - -ffast-math -fstrict-aliasing -Wall -W -Wno-uninitialized - -SHFLAGS = # -fPIC (not needed on windows, all code is PIC) -DEPFLAGS = -M - -LINK = x86_64-w64-mingw32-g++ -static -LINKFLAGS = -O2 -march=core2 -mtune=core2 -mpc64 -msse2 -fopenmp -LIB = -lwsock32 -static-libgcc -lquadmath -lpsapi -SIZE = x86_64-w64-mingw32-size - -ARCHIVE = x86_64-w64-mingw32-ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# name of object file subdir for libraries in lib with leading '/' -LIBOBJDIR = /Obj_mingw64-mpi - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_SMALLBIG -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_XDR -DLAMMPS_GZIP -DLAMMPS_FFMPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -I../../tools/mingw-cross/mpich2-win64/include -DMPICH_SKIP_MPICXX -MPI_PATH = -L../../tools/mingw-cross/mpich2-win64/lib -MPI_LIB = -lmpi - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 -lpng -lz - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.myrinet b/src/MAKE/MACHINES/Makefile.myrinet deleted file mode 100755 index 59f2efb58..000000000 --- a/src/MAKE/MACHINES/Makefile.myrinet +++ /dev/null @@ -1,115 +0,0 @@ -# myrinet = cluster, g++, myrinet MPI, no FFTs - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = g++ -CCFLAGS = -O -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = G++ -LINKFLAGS = -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -I/opt/mpich-mx/include -MPI_PATH = -L/opt/mpich-mx/lib -L/opt/mx/lib -MPI_LIB = -lmpich -lmyriexpress - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_NONE -FFT_PATH = -FFT_LIB = - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.power b/src/MAKE/MACHINES/Makefile.power deleted file mode 100644 index 14a035dd2..000000000 --- a/src/MAKE/MACHINES/Makefile.power +++ /dev/null @@ -1,116 +0,0 @@ -# power = IBM Power5+, mpCC_r, native MPI, FFTW - -SHELL = /bin/sh -.SUFFIXES: .cpp .u - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpCC_r -CCFLAGS = -O3 -qnoipa -qlanglvl=oldmath -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpCC_r -LINKFLAGS = -O -qnoipa -qlanglvl=oldmath -bmaxdata:0x70000000 -LIB = -lm -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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 -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -I/scr/oppe/LAMMPS/fftw-2.1.5/include -FFT_PATH = -L/scr/oppe/LAMMPS/fftw-2.1.5/lib -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.redsky b/src/MAKE/MACHINES/Makefile.redsky deleted file mode 100644 index a310f5650..000000000 --- a/src/MAKE/MACHINES/Makefile.redsky +++ /dev/null @@ -1,135 +0,0 @@ -# redsky - SUN X6275 nodes, Nehalem procs, mpic++, openmpi, OpenMP, no FFTW - -SHELL = /bin/sh - -# This Makefile builds LAMMPS for RedSky with OpenMPI. -# To use this Makefile, you need appropriate modules loaded. -# You can determine which modules are loaded by typing: -# module list -# These modules can be enabled by lines like this in your .cshrc or -# other start-up shell file or by typing them before you build LAMMPS: -# module load mpi/openmpi-1.4.2_oobpr_intel-11.1-f064-c064 -# module load libraries/intel-mkl-11.1.064 -# module load libraries/fftw-2.1.5_openmpi-1.4.2_oobpr_intel-11.1-f064-c064 -# These same modules need to be loaded to submit a LAMMPS job, -# either interactively or via a batch script. - -# IMPORTANT NOTE: -# to run efficiently on RedSky, use the "numa_wrapper" mpiexec option, -# to insure proceses and their memory are locked to specific cores -# e.g. in your batch script: -# nodes=$SLURM_JOB_NUM_NODES -# cores=8 -# mpiexec --npernode $cores numa_wrapper --ppn $cores lmp_redsky < in > out - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpic++ -fopenmp -CCFLAGS = -O2 -xsse4.2 -funroll-loops -fstrict-aliasing -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpic++ -fopenmp -LINKFLAGS = -O -xsse4.2 -LIB = -lstdc++ -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rcsv -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -#FFT_INC = -DFFT_FFTW -I${FFTW_INCLUDE} -#FFT_PATH = -L${FFTW_LIB} -#FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.serial b/src/MAKE/MACHINES/Makefile.serial deleted file mode 100755 index bff42d953..000000000 --- a/src/MAKE/MACHINES/Makefile.serial +++ /dev/null @@ -1,115 +0,0 @@ -# serial = RedHat Linux box, g++4, no MPI, no FFTs - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = g++ -CCFLAGS = -O -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = g++ -LINKFLAGS = -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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_stubs - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.stampede b/src/MAKE/MACHINES/Makefile.stampede deleted file mode 100755 index 3edda8c9f..000000000 --- a/src/MAKE/MACHINES/Makefile.stampede +++ /dev/null @@ -1,114 +0,0 @@ -# stampede = Intel Compiler, MKL FFT, Offload to Xeon Phi - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicc -openmp -DLMP_INTEL_OFFLOAD -DLAMMPS_MEMALIGN=64 -MIC_OPT = -offload-option,mic,compiler,"-fp-model fast=2 -mGLOB_default_function_attrs=\"gather_scatter_loop_unroll=4\"" -CCFLAGS = -O3 -xhost -fp-model precise -restrict -override-limits $(MIC_OPT) -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicc -openmp -LINKFLAGS = -O3 -xhost -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_MKL -I$(TACC_MKL_INC) -FFT_PATH = -FFT_LIB = -L$(TACC_MKL_LIB) -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 -# do not 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) $< > $@ - -%.o:%.cu - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.storm b/src/MAKE/MACHINES/Makefile.storm deleted file mode 100644 index cb41e3ada..000000000 --- a/src/MAKE/MACHINES/Makefile.storm +++ /dev/null @@ -1,116 +0,0 @@ -# storm = Cray Red Storm XT3, Cray CC, native MPI, FFTW - -SHELL = /bin/sh -.SUFFIXES: .cpp .d - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = CC -CCFLAGS = -fastsse -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = CC -LINKFLAGS = -O -LIB = -lstdc++ -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -I/projects/fftw/fftw-2.1.5/include -FFT_PATH = -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.tacc b/src/MAKE/MACHINES/Makefile.tacc deleted file mode 100644 index 4f2e9bd05..000000000 --- a/src/MAKE/MACHINES/Makefile.tacc +++ /dev/null @@ -1,118 +0,0 @@ -# tacc = UT Lonestar TACC machine, mpiCC, MPI, FFTW - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpiCC -CCFLAGS = -O -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpiCC -LINKFLAGS = -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = -lmpich -lpthread - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 - -FFTW_INC = ${TACC_FFTW2_INC} -FFTW_LIB = ${TACC_FFTW2_LIB} - -FFT_INC = -DFFT_FFTW -I${FFTW_INC} -FFT_PATH = -L${FFTW_LIB} -FFT_LIB = ${FFTW_LIB}/libfftw.a - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.ubuntu b/src/MAKE/MACHINES/Makefile.ubuntu deleted file mode 100644 index df4e60334..000000000 --- a/src/MAKE/MACHINES/Makefile.ubuntu +++ /dev/null @@ -1,119 +0,0 @@ -# ubuntu = Ubuntu Linux box, g++, openmpi, FFTW3 - -# you have to install the packages g++, mpi-default-bin, mpi-default-dev, -# libfftw3-dev, libjpeg-dev and libpng12-dev to compile LAMMPS with this -# makefile - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpic++ -CCFLAGS = -g -O3 # -Wunused -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpic++ -LINKFLAGS = -g -O3 -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG -DLAMMPS_PNG -DLAMMPS_FFMPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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 -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW3 -FFT_PATH = -FFT_LIB = -lfftw3 - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 -lpng - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.ubuntu_simple b/src/MAKE/MACHINES/Makefile.ubuntu_simple deleted file mode 100644 index e4e45eae0..000000000 --- a/src/MAKE/MACHINES/Makefile.ubuntu_simple +++ /dev/null @@ -1,118 +0,0 @@ -# ubuntu_simple = Ubuntu Linux box, g++, openmpi, KISS FFT - -# you have to install the packages g++, mpi-default-bin and mpi-default-dev -# to compile LAMMPS with this makefile - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpic++ -CCFLAGS = -g -O3 # -Wunused -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpic++ -LINKFLAGS = -g -O3 -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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 -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.xe6 b/src/MAKE/MACHINES/Makefile.xe6 deleted file mode 100644 index bb68d75db..000000000 --- a/src/MAKE/MACHINES/Makefile.xe6 +++ /dev/null @@ -1,116 +0,0 @@ -# xe6 = Cray XE6, Cray CC, native MPI, FFTW - -SHELL = /bin/sh -.SUFFIXES: .cpp .d - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = CC -CCFLAGS = -fastsse -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = CC -LINKFLAGS = -O -LIB = -lstdc++ -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -FFT_PATH = -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.xt3 b/src/MAKE/MACHINES/Makefile.xt3 deleted file mode 100644 index 274a52369..000000000 --- a/src/MAKE/MACHINES/Makefile.xt3 +++ /dev/null @@ -1,117 +0,0 @@ -# xt3 = PSC BigBen Cray XT3, CC, native MPI, FFTW - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = CC -CCFLAGS = -O3 --target=catamount \ - -fomit-frame-pointer -finline-functions \ - -Wall -Wno-unused -funroll-all-loops -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = CC -LINKFLAGS = --target=catamount -O -LIB = -lgmalloc -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_XDR - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = -lmpich -lpthread - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_FFTW -I$(FFTW_INC) -FFT_PATH = -L$(FFTW_LIB) -FFT_LIB = -ldfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/MACHINES/Makefile.xt5 b/src/MAKE/MACHINES/Makefile.xt5 deleted file mode 100644 index 920b5e5bd..000000000 --- a/src/MAKE/MACHINES/Makefile.xt5 +++ /dev/null @@ -1,116 +0,0 @@ -# xt5 = Cray XT5, Cray CC, native MPI, FFTW - -SHELL = /bin/sh -.SUFFIXES: .cpp .d - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = CC -CCFLAGS = -fastsse -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = CC -LINKFLAGS = -O -LIB = -lstdc++ -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW -I/home/sjplimp/fftw/fftw -FFT_PATH = -L/home/sjplimp/fftw/fftw/.libs -FFT_LIB = -lfftw - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/Makefile.mpi b/src/MAKE/Makefile.mpi deleted file mode 100755 index c88985f33..000000000 --- a/src/MAKE/Makefile.mpi +++ /dev/null @@ -1,115 +0,0 @@ -# mpi = default MPI compiler, default MPI - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/Makefile.serial b/src/MAKE/Makefile.serial deleted file mode 100755 index 2833839ee..000000000 --- a/src/MAKE/Makefile.serial +++ /dev/null @@ -1,115 +0,0 @@ -# serial = g++ compiler, no MPI, internal FFT - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = g++ -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = g++ -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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_stubs - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.fftw b/src/MAKE/OPTIONS/Makefile.fftw deleted file mode 100755 index 966f823a5..000000000 --- a/src/MAKE/OPTIONS/Makefile.fftw +++ /dev/null @@ -1,115 +0,0 @@ -# fftw = default MPI compiler, default MPI, FFTW support - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 = -DFFT_FFTW3 -I/usr/local/include -FFT_PATH = -L/usr/local/lib -FFT_LIB = -lfftw3 - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.intel_cpu b/src/MAKE/OPTIONS/Makefile.intel_cpu deleted file mode 100755 index f1c420f7c..000000000 --- a/src/MAKE/OPTIONS/Makefile.intel_cpu +++ /dev/null @@ -1,118 +0,0 @@ -# intel_cpu = USER-INTEL package with CPU optimizations, Intel MPI, MKL FFT - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpiicpc -OPTFLAGS = -xHost -O2 -fp-model fast=2 -no-prec-div -override-limits -CCFLAGS = -g -openmp -DLAMMPS_MEMALIGN=64 -no-offload \ - -fno-alias -ansi-alias -restrict $(OPTFLAGS) -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpiicpc -LINKFLAGS = -g -openmp $(OPTFLAGS) -LIB = -ltbbmalloc -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_MKL -DFFT_SINGLE -FFT_PATH = -FFT_LIB = -L$MKLROOT/lib/intel64/ -lmkl_intel_ilp64 \ - -lmkl_intel_thread -lmkl_core - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.intel_knl b/src/MAKE/OPTIONS/Makefile.intel_knl deleted file mode 100755 index 353826d48..000000000 --- a/src/MAKE/OPTIONS/Makefile.intel_knl +++ /dev/null @@ -1,115 +0,0 @@ -# intel_knl = USER-INTEL package build for "Knights Landing" processors, Intel MPI, MKL FFT - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpiicpc -CCFLAGS = -g -O2 -openmp -DLAMMPS_MEMALIGN=64 -no-offload -fp-model fast=2 \ - -xMIC-AVX512 -fno-alias -ansi-alias -restrict -override-limits -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpiicpc -LINKFLAGS = -g -O2 -openmp -xMIC-AVX512 -LIB = -ltbbmalloc -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_MKL -DFFT_SINGLE -FFT_PATH = -FFT_LIB = -L$MKLROOT/lib/intel64/ -lmkl_intel_ilp64 \ - -lmkl_intel_thread -lmkl_core - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 -# do not 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) $< > $@ - -%.o:%.cu - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.intel_phi b/src/MAKE/OPTIONS/Makefile.intel_phi deleted file mode 100755 index ad9b0d35a..000000000 --- a/src/MAKE/OPTIONS/Makefile.intel_phi +++ /dev/null @@ -1,118 +0,0 @@ -# intel_phi = USER-INTEL package with Phi offload support, Intel MPI, MKL FFT - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpiicpc -MIC_OPT = -offload-option,mic,compiler,"-fp-model fast=2 -mGLOB_default_function_attrs=\"gather_scatter_loop_unroll=4\"" -CCFLAGS = -g -O3 -openmp -DLMP_INTEL_OFFLOAD -DLAMMPS_MEMALIGN=64 \ - -xHost -fno-alias -ansi-alias -restrict \ - -override-limits $(MIC_OPT) -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpiicpc -LINKFLAGS = -g -O3 -xHost -openmp -offload -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_MKL -DFFT_SINGLE -FFT_PATH = -FFT_LIB = -L$(MKLROOT)/lib/intel64/ -lmkl_intel_ilp64 -lmkl_intel_thread -lmkl_core - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.jpeg b/src/MAKE/OPTIONS/Makefile.jpeg deleted file mode 100755 index 8cc5e86a6..000000000 --- a/src/MAKE/OPTIONS/Makefile.jpeg +++ /dev/null @@ -1,115 +0,0 @@ -# jpeg = default MPI compiler, default MPI, JPEG support - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = -I/usr/include -JPG_PATH = -L/usr/lib -JPG_LIB = -ljpeg - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.knl b/src/MAKE/OPTIONS/Makefile.knl deleted file mode 100755 index 68e68fe19..000000000 --- a/src/MAKE/OPTIONS/Makefile.knl +++ /dev/null @@ -1,116 +0,0 @@ -# knl = Flags for Knights Landing Xeon Phi Processor,Intel Compiler/MPI,MKL FFT - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpiicpc -OPTFLAGS = -xMIC-AVX512 -O2 -fp-model fast=2 -no-prec-div -override-limits -CCFLAGS = -g -openmp -DLAMMPS_MEMALIGN=64 -no-offload \ - -fno-alias -ansi-alias -restrict $(OPTFLAGS) -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpiicpc -LINKFLAGS = -g -openmp $(OPTFLAGS) -static-intel -LIB = -ltbbmalloc -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# can be left blank to use provided KISS FFT library -# INC = -DFFT setting, e.g. -DFFT_FFTW, FFT compiler settings -# PATH = path for FFT library -# LIB = name of FFT library - -FFT_INC = -DFFT_MKL -DFFT_SINGLE -FFT_PATH = -FFT_LIB = -L$MKLROOT/lib/intel64/ -lmkl_intel_ilp64 \ - -lmkl_intel_thread -lmkl_core - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 -# do not 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) $< > $@ - -%.o:%.cu - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.kokkos_cuda b/src/MAKE/OPTIONS/Makefile.kokkos_cuda deleted file mode 100755 index af557992e..000000000 --- a/src/MAKE/OPTIONS/Makefile.kokkos_cuda +++ /dev/null @@ -1,120 +0,0 @@ -# kokkos_cuda = KOKKOS package with CUDA support, OpenMPI, nvcc/mpicxx compiler - -SHELL = /bin/sh - -KOKKOS_ABSOLUTE_PATH = $(shell cd $(KOKKOS_PATH); pwd) -export OMPI_CXX = $(KOKKOS_ABSOLUTE_PATH)/config/nvcc_wrapper - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared -KOKKOS_DEVICES = Cuda, OpenMP -KOKKOS_ARCH = Kepler35 - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.kokkos_omp b/src/MAKE/OPTIONS/Makefile.kokkos_omp deleted file mode 100644 index 90fc7baa5..000000000 --- a/src/MAKE/OPTIONS/Makefile.kokkos_omp +++ /dev/null @@ -1,116 +0,0 @@ -# kokkos_omp = KOKKOS package with OMP support, MPI compiler, default MPI - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared -KOKKOS_DEVICES = OpenMP - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.kokkos_phi b/src/MAKE/OPTIONS/Makefile.kokkos_phi deleted file mode 100644 index f1aa55061..000000000 --- a/src/MAKE/OPTIONS/Makefile.kokkos_phi +++ /dev/null @@ -1,117 +0,0 @@ -# kokkos_phi = KOKKOS package with PHI support, Intel compiler, default MPI - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpiicpc -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpiicpc -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared -KOKKOS_DEVICES = OpenMP -KOKKOS_ARCH = KNC - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.mpi_fastmgpt b/src/MAKE/OPTIONS/Makefile.mpi_fastmgpt deleted file mode 100644 index 521c98933..000000000 --- a/src/MAKE/OPTIONS/Makefile.mpi_fastmgpt +++ /dev/null @@ -1,113 +0,0 @@ -# mpi_fastmgpt = default MPI compiler, default MPI, optimizations for USER-MGPT - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -O3 -msse3 -funroll-loops -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) $< > $@ - -%.o:%.cu - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.mpich_g++ b/src/MAKE/OPTIONS/Makefile.mpich_g++ deleted file mode 100755 index 0be96f925..000000000 --- a/src/MAKE/OPTIONS/Makefile.mpich_g++ +++ /dev/null @@ -1,115 +0,0 @@ -# mpich_g++ = g++ compiler and MPICH via MPI wrapper - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -cxx=g++ -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -cxx=g++ -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.mpich_icc b/src/MAKE/OPTIONS/Makefile.mpich_icc deleted file mode 100755 index a56f5b7a2..000000000 --- a/src/MAKE/OPTIONS/Makefile.mpich_icc +++ /dev/null @@ -1,115 +0,0 @@ -# mpich_icc = icc compiler and MPICH via MPI wrapper - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -cxx=icc -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -cxx=icc -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.mpich_native_g++ b/src/MAKE/OPTIONS/Makefile.mpich_native_g++ deleted file mode 100755 index 90e738fe6..000000000 --- a/src/MAKE/OPTIONS/Makefile.mpich_native_g++ +++ /dev/null @@ -1,115 +0,0 @@ -# mpich_native_g++ = g++ compiler, native MPICH w/out wrapper - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = g++ -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = g++ -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/usr/local/include -MPI_PATH = -L/usr/local/lib -MPI_LIB = -lmpich -lmpl -lpthread - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.mpich_native_icc b/src/MAKE/OPTIONS/Makefile.mpich_native_icc deleted file mode 100755 index 6f3f26646..000000000 --- a/src/MAKE/OPTIONS/Makefile.mpich_native_icc +++ /dev/null @@ -1,115 +0,0 @@ -# mpich_native_icc = icc compiler, native MPICH w/out wrapper - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = icc -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = icc -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/usr/local/include -MPI_PATH = -L/usr/local/lib -MPI_LIB = -lmpich -lmpl -lpthread - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.omp b/src/MAKE/OPTIONS/Makefile.omp deleted file mode 100755 index 56310f284..000000000 --- a/src/MAKE/OPTIONS/Makefile.omp +++ /dev/null @@ -1,115 +0,0 @@ -# omp = USER-OMP package with default MPI compiler, default MPI - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -g -O3 -restrict -fopenmp -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -fopenmp -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.ompi_g++ b/src/MAKE/OPTIONS/Makefile.ompi_g++ deleted file mode 100755 index 1b447689f..000000000 --- a/src/MAKE/OPTIONS/Makefile.ompi_g++ +++ /dev/null @@ -1,116 +0,0 @@ -# ompi_g++ = g++ compiler and OpenMPI via MPI wrapper - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -OMPI_CXX := g++ -CC = mpicxx -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.ompi_icc b/src/MAKE/OPTIONS/Makefile.ompi_icc deleted file mode 100755 index a5db57c95..000000000 --- a/src/MAKE/OPTIONS/Makefile.ompi_icc +++ /dev/null @@ -1,116 +0,0 @@ -# ompi_icc = icc compiler and OpenMPI via MPI wrapper - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -OMPI_CXX := icc -CC = mpicxx -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.ompi_native_g++ b/src/MAKE/OPTIONS/Makefile.ompi_native_g++ deleted file mode 100755 index 01c4c2fac..000000000 --- a/src/MAKE/OPTIONS/Makefile.ompi_native_g++ +++ /dev/null @@ -1,115 +0,0 @@ -# ompi_native_g++ = g++ compiler, native OpenMPI w/out wrapper - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = g++ -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = g++ -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/usr/local/include -MPI_PATH = -L/usr/local/lib -MPI_LIB = -lmpi -lmpi_cxx - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.ompi_native_icc b/src/MAKE/OPTIONS/Makefile.ompi_native_icc deleted file mode 100755 index 89e7df222..000000000 --- a/src/MAKE/OPTIONS/Makefile.ompi_native_icc +++ /dev/null @@ -1,115 +0,0 @@ -# ompi_native_icc = icc compiler, native OpenMPI w/out wrapper - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = icc -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = icc -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -I/usr/local/include -MPI_PATH = -L/usr/local/lib -MPI_LIB = -lmpi -lmpi_cxx - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.opt b/src/MAKE/OPTIONS/Makefile.opt deleted file mode 100755 index c1875b534..000000000 --- a/src/MAKE/OPTIONS/Makefile.opt +++ /dev/null @@ -1,115 +0,0 @@ -# opt = OPT package with default MPI compiler, default MPI - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -g -O3 -restrict -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.pgi b/src/MAKE/OPTIONS/Makefile.pgi deleted file mode 100644 index 89faf682a..000000000 --- a/src/MAKE/OPTIONS/Makefile.pgi +++ /dev/null @@ -1,116 +0,0 @@ -# pgi = Portland Group compiler pgCC, MPICH, FFTW - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = pgCC -CCFLAGS = -g -fast -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = pgCC -LINKFLAGS = -g -LIB = -#LIB = -lstdc++ -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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 -# see discussion in Section 2.2 (step 6) of manaul -# 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 = -DFFT_FFTW3 -FFT_PATH = -FFT_LIB = -lfftw3 - -# JPEG and/or PNG library -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.png b/src/MAKE/OPTIONS/Makefile.png deleted file mode 100755 index 26e25583d..000000000 --- a/src/MAKE/OPTIONS/Makefile.png +++ /dev/null @@ -1,115 +0,0 @@ -# png = default MPI compiler, default MPI, PNG support - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = mpicxx -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = mpicxx -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP -DLAMMPS_PNG - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# INC = path for mpi.h, MPI compiler settings -# PATH = path for MPI library -# LIB = name of MPI library - -MPI_INC = -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -MPI_PATH = -MPI_LIB = - -# FFT library -# see discussion in Section 2.2 (step 6) of manual -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = -I/usr/include -JPG_PATH = -L/usr/lib -JPG_LIB = -lpng - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/OPTIONS/Makefile.serial_icc b/src/MAKE/OPTIONS/Makefile.serial_icc deleted file mode 100755 index ddc9a2c14..000000000 --- a/src/MAKE/OPTIONS/Makefile.serial_icc +++ /dev/null @@ -1,115 +0,0 @@ -# serial_icc = icc compiler, no MPI - -SHELL = /bin/sh - -# --------------------------------------------------------------------- -# compiler/linker settings -# specify flags and libraries needed for your compiler - -CC = icc -CCFLAGS = -g -O3 -SHFLAGS = -fPIC -DEPFLAGS = -M - -LINK = icc -LINKFLAGS = -g -O -LIB = -SIZE = size - -ARCHIVE = ar -ARFLAGS = -rc -SHLIBFLAGS = -shared - -# --------------------------------------------------------------------- -# LAMMPS-specific settings, all OPTIONAL -# specify settings for LAMMPS features you will use -# if you change any -D setting, do full re-compile after "make clean" - -# LAMMPS ifdef settings -# see possible settings in Section 2.2 (step 4) of manual - -LMP_INC = -DLAMMPS_GZIP - -# MPI library -# see discussion in Section 2.2 (step 5) of manual -# MPI wrapper compiler/linker can provide this info -# can point to dummy MPI library in src/STUBS as in Makefile.serial -# use -D MPICH and OMPI settings in INC to avoid C++ lib conflicts -# 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_stubs - -# FFT library -# see discussion in Section 2.2 (step 6) of manaul -# 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 -# see discussion in Section 2.2 (step 7) of manual -# 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 = - -# --------------------------------------------------------------------- -# build rules and dependencies -# do not 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) -EXTRA_CPP_DEPENDS = $(PKG_CPP_DEPENDS) -EXTRA_LINK_DEPENDS = $(PKG_LINK_DEPENDS) - -# Path to src files - -vpath %.cpp .. -vpath %.h .. - -# Link target - -$(EXE): $(OBJ) $(EXTRA_LINK_DEPENDS) - $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) - $(SIZE) $(EXE) - -# Library targets - -lib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) - -shlib: $(OBJ) $(EXTRA_LINK_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(SHLIBFLAGS) $(EXTRA_PATH) -o $(EXE) \ - $(OBJ) $(EXTRA_LIB) $(LIB) - -# Compilation rules - -%.o:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -%.d:%.cpp $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ - -%.o:%.cu $(EXTRA_CPP_DEPENDS) - $(CC) $(CCFLAGS) $(SHFLAGS) $(EXTRA_INC) -c $< - -# Individual dependencies - -DEPENDS = $(OBJ:.o=.d) -sinclude $(DEPENDS) diff --git a/src/MAKE/README b/src/MAKE/README deleted file mode 100644 index eddac4935..000000000 --- a/src/MAKE/README +++ /dev/null @@ -1,106 +0,0 @@ -This directory and its sub-directories contain machine Makefiles for -LAMMPS. The use of machine Makefiles and their settings are discussed -in Section 2 of the manual. - -If you are new to LAMMPS, try one of the files in this directory -first. - -Then you can try files in the sub-directories with more options you -may need, or that are specific to a machine you are running on. - -If none of the existing files work, you can edit a file in either -directory to create your own customized Makefile.machine. Put it in -the MINE directory if you want to avoid conflicts with the Makefiles -distributed with LAMMPS. - ------------------------------------ - -This directory has two generic Makefiles which should work as-is on -many platforms. - -Makefile.mpi assumes MPI is installed on your machine -Makefile.serial build without MPI for serial execution (single core) - -Makefile.mpi builds with the mpicxx wrapper provided with all MPI -installations. It uses a default compiler (the one MPI was built -with) and should work with whatever version of MPI is installed -(OpenMPI, MPICH, vendor, etc). - -Makefile.serial builds without MPI, using the GNU g++ compiler. It -uses the dummy MPI library in src/STUBS, which you can pre-build via -"make stubs" in the src dir. See Makefile.serial_icc in the OPTIONS -dir for the same thing using the Intel icc compiler instead of g++. - ------------------------------------ - -The OPTIONS directory has several Makefiles that extend either -Makefile.mpi or Makefile.serial to enable use of different compilers, -different MPIs, or accelerator package and command options that LAMMPS -supports. - --------- - -Makefile.fftw FFTW support for long-range Coulombics (PPPM) -Makefile.jpeg JPEG support for dump image -Makefile.png PNG support for dump image - -These Makefiles are the same as Makefile.mpi except they add settings -for commonly used options (FFTW, JPG, PNG) to illustrate how they can -be added to any Makefile. - --------- - -Makefile.kokkos_omp KOKKOS package with CUDA support via nvcc compiler -Makefile.kokkos_cuda KOKKOS package with CUDA support via nvcc compiler -Makefile.kokkos_phi KOKKOS package with CUDA support via nvcc compiler - -These Makefiles are for building with the KOKKOS package for different -architectures (multi-core with OpenMP threading, GPU, Xeon Phi). Some -Makefile variables are set and appended to. - --------- - -Makefile.intel_cpu USER-INTEL package with CPU acceleration -Makefile.intel_phi USER-INTEL package with Xeon Phi support - -These Makefiles are for building with the USER-INTEL package with -either CPU or Xeon Phi (offload) support. Some Makefile variables are -set and appended to. - --------- - -Makefile.mpich_g++ compile with MPICH wrapper, set compiler to GNU g++ -Makefile.mpich_icc compile with MPICH wrapper, set compiler to Intel icc -Makefile.ompi_g++ compile with OpenMPI wrapper, set compiler to GNU g++ -Makefile.ompi_icc compile with OpenMPI wrapper, set compiler to Intel icc - -Makefile.serial_icc serial build with Intel icc compiler -Makefile.pgi MPI guild with the PGI compiler - -These Makefiles adapt Makefile.mpi and Makefile.serial to use specific -compilers. - --------- - -Makefile.mpich_native_g++ compile with GNU g++, link to MPICH -Makefile.mpich_native_icc compile with Intel icc, link to MPICH -Makefile.ompi_native_g++ compile with GNU g++, link to OpenMPI -Makefile.ompi_native_icc compile with Intel icc, link to OpenMPI - -These Makefiles show how to build with MPI support, but not using the -MPI wrapper "mpicxx" for compiling. Instead, g++ or icc is used -directly to compile and the MPI library is linked to. This requires -extra settings for the MPI variables to specify the MPI include and -library files. - ------------------------------------- - -The MACHINE sub-directory has many Makefiles, each of which has been -setup for a specific kind of machine or a specific supercomputer. - -Examples include: - -Makefile.mac Apple Macintosh -Makefile.xe6 Cray XE6 -Makefile.bgq IBM BG/Q -Makefile.stampede U Texas "stampede" machine diff --git a/src/Make.py b/src/Make.py index c30255f9d..d8be53f13 100755 --- a/src/Make.py +++ b/src/Make.py @@ -1,2077 +1,2162 @@ #!/usr/bin/env python2 # Make.py tool for managing packages and their auxiliary libs, # auto-editing machine Makefiles, and building LAMMPS # Syntax: Make.py -h (for help) # Notes: needs python 2.7 (not Python 3) import sys,os,commands,re,copy,subprocess # switch abbrevs # switch classes = created class for each switch # lib classes = auxiliary package libs # build classes = build options with defaults # make classes = makefile options with no defaults # setargs = makefile settings # actionargs = allowed actions (also lib-dir and machine) abbrevs = "adhjmoprsv" switchclasses = ("actions","dir","help","jmake","makefile", "output","packages","redo","settings","verbose") -libclasses = ("atc","awpmd","colvars","cuda","gpu", - "meam","poems","qmmm","reax","voronoi") +libclasses = ("atc","awpmd","colvars","cuda","gpu","h5md", + "meam","poems","python","qmmm","reax","voronoi") buildclasses = ("intel","kokkos") makeclasses = ("cc","mpi","fft","jpg","png") setargs = ("gzip","#gzip","ffmpeg","#ffmpeg","smallbig","bigbig","smallsmall") actionargs = ("lib-all","file","clean","exe") # ---------------------------------------------------------------- # functions # ---------------------------------------------------------------- # if flag = 1, print str and exit # if flag = 0, print str as warning and do not exit def error(str,flag=1): if flag: print "ERROR:",str sys.exit() else: print "WARNING:",str # store command-line args as sw = dict of key/value # key = switch word, value = list of following args # order = list of switches in order specified # enforce no switch more than once def parse_args(args): narg = len(args) sw = {} order = [] iarg = 0 while iarg < narg: if args[iarg][0] != '-': error("Arg %s is not a switch" % args[iarg]) switch = args[iarg][1:] if switch in sw: error("Duplicate switch %s" % args[iarg]) order.append(switch) first = iarg+1 last = first while last < narg and args[last][0] != '-': last += 1 sw[switch] = args[first:last] iarg = last return sw,order # convert info in switches dict back to a string, in switch_order def switch2str(switches,switch_order): txt = "" for switch in switch_order: if txt: txt += ' ' txt += "-%s" % switch txt += ' ' + ' '.join(switches[switch]) return txt # check if compiler works with ccflags on dummy one-line tmpauto.cpp file # return 1 if successful, else 0 # warn = 1 = print warning if not successful, warn = 0 = no warning # NOTE: unrecognized -override-limits can leave verride-limits file def compile_check(compiler,ccflags,warn): open("tmpauto.cpp",'w').write("int main(int, char **) {}\n") str = "%s %s -c tmpauto.cpp" % (compiler,ccflags) txt = commands.getoutput(str) flag = 1 if txt or not os.path.isfile("tmpauto.o"): flag = 0 if warn: print str if txt: print txt else: print "compile produced no output" os.remove("tmpauto.cpp") if os.path.isfile("tmpauto.o"): os.remove("tmpauto.o") return flag # check if linker works with linkflags on tmpauto.o file # return 1 if successful, else 0 # warn = 1 = print warning if not successful, warn = 0 = no warning def link_check(linker,linkflags,warn): open("tmpauto.cpp",'w').write("int main(int, char **) {}\n") str = "%s %s -o tmpauto tmpauto.cpp" % (linker,linkflags) txt = commands.getoutput(str) flag = 1 if txt or not os.path.isfile("tmpauto"): flag = 0 if warn: print str if txt: print txt else: print "link produced no output" os.remove("tmpauto.cpp") if os.path.isfile("tmpauto"): os.remove("tmpauto") return flag # ---------------------------------------------------------------- # switch classes, one per single-letter switch # ---------------------------------------------------------------- # actions class Actions: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -a action1 action2 ... possible actions = lib-all, lib-dir, file, clean, exe or machine machine is a Makefile.machine suffix actions can be specified in any order each action can appear only once lib-dir can appear multiple times for different dirs some actions depend on installed packages installed packages = currently installed + result of -p switch actions are invoked in this order, independent of specified order (1) lib-all or lib-dir = build auxiliary libraries lib-all builds all auxiliary libs needed by installed packages lib-dir builds a specific lib whether package installed or not dir is any dir in lib directory (atc, cuda, meam, etc) except linalg (2) file = create src/MAKE/MINE/Makefile.auto use -m switch for Makefile.machine to start from, else use existing Makefile.auto adds settings needed for installed accelerator packages existing Makefile.auto is NOT changed unless "file" action is specified (3) clean = invoke "make clean-auto" to insure clean build on current files useful if compiler flags have changed (4) exe or machine = build LAMMPS machine can be any existing Makefile.machine suffix machine is converted to "exe" action, as well as: "-m machine" is added if -m switch is not specified "-o machine" is added if -o switch is not specified if either "-m" or "-o" are specified, they are not overridden does not invoke any lib builds, since libs could be previously built exe always builds using src/MAKE/MINE/Makefile.auto if file action also specified, it creates Makefile.auto else if -m switch specified, existing Makefile.machine is copied to create Makefile.auto else Makefile.auto must already exist and is not changed produces src/lmp_auto, or error message if unsuccessful use -o switch to copy src/lmp_auto to new filename """ def check(self): if not self.inlist: error("-a args are invalid") libs = [] cleans = [] files = [] exes = [] for one in self.inlist: if one.startswith("lib-"): lib = one[4:] if lib != "all" and lib not in libclasses: error("Actions are invalid") libs.append(one) elif one == "file": files.append(one) elif one == "clean": cleans.append(one) elif one == "exe": exes.append(one) # one action can be unknown in case is a machine (checked in setup) else: exes.append(one) if len(set(libs)) != len(libs) or \ len(cleans) > 1 or len(files) > 1 or len(exes) > 1: error("Actions are invalid") self.alist = [action for actions in [libs,cleans,files,exes] \ for action in actions] # dedup list of actions concatenated from two lists # current self.inlist = specified -a switch + redo command -a switch # specified exe/machine action replaces redo exe/machine action # operates on and replaces self.inlist def dedup(self): alist = [] exemachine = 0 for one in self.inlist: if one == "exe" or (one not in actionargs and not one.startswith("lib-")): if exemachine: continue exemachine = 1 if one not in alist: alist.append(one) self.inlist = alist # if last action is unknown, assume machine and convert to exe # only done if action is a suffix for an existing Makefile.machine # return machine if conversion done, else None def setup(self): machine = self.alist[-1] if machine in actionargs or machine.startswith("lib-"): return None make = MakeReader(machine,2) self.alist[-1] = "exe" return machine # build one or more auxiliary package libraries def lib(self,suffix): if suffix != "all": print "building",suffix,"library ..." str = "%s.build()" % suffix exec(str) else: final = packages.final for one in packages.lib: if final[one]: if "user" in one: pkg = one[5:] else: pkg = one print "building",pkg,"library ..." str = "%s.build()" % pkg exec(str) # read Makefile.machine # if caller = "file", edit via switches # if caller = "exe", just read # write out new Makefile.auto def file(self,caller): # if caller = "file", create from mpi or read from makefile.machine or auto # if caller = "exe" and "file" action already invoked, read from auto # if caller = "exe" and no "file" action, read from makefile.machine or auto if caller == "file": if makefile and makefile.machine == "none": if cc and mpi: machine = "mpi" else: error("Cannot create makefile unless -cc and -mpi are used") elif makefile: machine = makefile.machine else: machine = "auto" elif caller == "exe" and "file" in self.alist: machine = "auto" elif caller == "exe" and "file" not in self.alist: if makefile and makefile.machine == "none": error("Cannot build with makefile = none") elif makefile: machine = makefile.machine else: machine = "auto" make = MakeReader(machine,1) # change makefile settings to user specifications precompiler = "" if caller == "file": # add compiler/linker and default CCFLAGS,LINKFLAGS # if cc.wrap, add wrapper setting for mpi = ompi/mpich # precompiler = env variable setting for OpenMPI wrapper compiler if cc: make.setvar("CC",cc.compiler) make.setvar("LINK",cc.compiler) if cc.wrap: if cc.wrap == "nvcc": wrapper = os.path.abspath("../lib/kokkos/config/nvcc_wrapper") else: wrapper = cc.wrap abbrev = cc.abbrev if abbrev == "mpi": txt = commands.getoutput("mpicxx -show") if "-lmpich" in txt: make.addvar("CC","-cxx=%s" % wrapper) make.addvar("LINK","-cxx=%s" % wrapper) elif "-lmpi" in txt: make.addvar("OMPI_CXX",wrapper,"cc") precompiler = "env OMPI_CXX=%s " % wrapper else: error("Could not add MPI wrapper compiler, " + "did not recognize OpenMPI or MPICH") make.setvar("CCFLAGS","-g") make.addvar("CCFLAGS","-O3") make.setvar("LINKFLAGS","-g") make.addvar("LINKFLAGS","-O") # add MPI settings if mpi: make.delvar("MPI_INC","*") make.delvar("MPI_PATH","*") make.delvar("MPI_LIB","*") if mpi.style == "mpi": make.addvar("MPI_INC","-DMPICH_SKIP_MPICXX") make.addvar("MPI_INC","-DOMPI_SKIP_MPICXX=1") elif mpi.style == "mpich": make.addvar("MPI_INC","-DMPICH_SKIP_MPICXX") make.addvar("MPI_INC","-DOMPI_SKIP_MPICXX=1") if mpi.dir: make.addvar("MPI_INC","-I%s/include" % mpi.dir) if mpi.dir: make.addvar("MPI_PATH","-L%s/lib" % mpi.dir) make.addvar("MPI_LIB","-lmpich") make.addvar("MPI_LIB","-lmpl") make.addvar("MPI_LIB","-lpthread") elif mpi.style == "ompi": make.addvar("MPI_INC","-DMPICH_SKIP_MPICXX") make.addvar("MPI_INC","-DOMPI_SKIP_MPICXX=1") if mpi.dir: make.addvar("MPI_INC","-I%s/include" % mpi.dir) if mpi.dir: make.addvar("MPI_PATH","-L%s/lib" % mpi.dir) make.addvar("MPI_LIB","-lmpi") make.addvar("MPI_LIB","-lmpi_cxx") elif mpi.style == "serial": make.addvar("MPI_INC","-I../STUBS") make.addvar("MPI_PATH","-L../STUBS") make.addvar("MPI_LIB","-lmpi_stubs") # add accelerator package CCFLAGS and LINKFLAGS and variables compiler = precompiler + ' '.join(make.getvar("CC")) linker = precompiler + ' '.join(make.getvar("LINK")) final = packages.final if final["opt"]: if compile_check(compiler,"-restrict",0): make.addvar("CCFLAGS","-restrict") if final["user-omp"]: if compile_check(compiler,"-fopenmp",1): make.addvar("CCFLAGS","-fopenmp") make.addvar("LINKFLAGS","-fopenmp") if compile_check(compiler,"-restrict",0): make.addvar("CCFLAGS","-restrict") if final["user-intel"]: if intel.mode == "cpu": if compile_check(compiler,"-fopenmp",1): make.addvar("CCFLAGS","-fopenmp") make.addvar("LINKFLAGS","-fopenmp") make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64") if compile_check(compiler,"-restrict",1): make.addvar("CCFLAGS","-restrict") if compile_check(compiler,"-xHost",1): make.addvar("CCFLAGS","-xHost") make.addvar("LINKFLAGS","-xHost") if compile_check(compiler,"-fno-alias",1): make.addvar("CCFLAGS","-fno-alias") if compile_check(compiler,"-ansi-alias",1): make.addvar("CCFLAGS","-ansi-alias") if compile_check(compiler,"-override-limits",1): make.addvar("CCFLAGS","-override-limits") make.delvar("CCFLAGS","-DLMP_INTEL_OFFLOAD") make.delvar("LINKFLAGS","-offload") elif intel.mode == "phi": if compile_check(compiler,"-fopenmp",1): make.addvar("CCFLAGS","-fopenmp") make.addvar("LINKFLAGS","-fopenmp") make.addvar("CCFLAGS","-DLAMMPS_MEMALIGN=64") if compile_check(compiler,"-restrict",1): make.addvar("CCFLAGS","-restrict") if compile_check(compiler,"-xHost",1): make.addvar("CCFLAGS","-xHost") make.addvar("CCFLAGS","-DLMP_INTEL_OFFLOAD") if compile_check(compiler,"-fno-alias",1): make.addvar("CCFLAGS","-fno-alias") if compile_check(compiler,"-ansi-alias",1): make.addvar("CCFLAGS","-ansi-alias") if compile_check(compiler,"-override-limits",1): make.addvar("CCFLAGS","-override-limits") if compile_check(compiler,'-offload-option,mic,compiler,' + '"-fp-model fast=2 -mGLOB_default_function_attrs=' + '\\"gather_scatter_loop_unroll=4\\""',1): make.addvar("CCFLAGS",'-offload-option,mic,compiler,' + '"-fp-model fast=2 -mGLOB_default_function_attrs=' + '\\"gather_scatter_loop_unroll=4\\""') if link_check(linker,"-offload",1): make.addvar("LINKFLAGS","-offload") if final["kokkos"]: if kokkos.mode == "omp": make.delvar("KOKKOS_DEVICES","*") make.delvar("KOKKOS_ARCH","*") make.addvar("KOKKOS_DEVICES","OpenMP","lmp") elif kokkos.mode == "cuda": make.delvar("KOKKOS_DEVICES","*") make.delvar("KOKKOS_ARCH","*") make.addvar("KOKKOS_DEVICES","Cuda, OpenMP","lmp") if kokkos.arch[0] == "3": make.addvar("KOKKOS_ARCH","Kepler" + kokkos.arch,"lmp") elif kokkos.arch[0] == "2": make.addvar("KOKKOS_ARCH","Fermi" + kokkos.arch,"lmp") elif kokkos.mode == "phi": make.delvar("KOKKOS_DEVICES","*") make.delvar("KOKKOS_ARCH","*") make.addvar("KOKKOS_DEVICES","OpenMP","lmp") make.addvar("KOKKOS_ARCH","KNC","lmp") # add LMP settings if settings: list = settings.inlist for one in list: if one == "gzip": make.addvar("LMP_INC","-DLAMMPS_GZIP") elif one == "#gzip": make.delvar("LMP_INC","-DLAMMPS_GZIP") elif one == "ffmpeg": make.addvar("LMP_INC","-DLAMMPS_FFMPEG") elif one == "#ffmpeg": make.delvar("LMP_INC","-DLAMMPS_FFMPEG") elif one == "smallbig": make.delvar("LMP_INC","-DLAMMPS_BIGBIG") make.delvar("LMP_INC","-DLAMMPS_SMALLSMALL") elif one == "bigbig": make.delvar("LMP_INC","-DLAMMPS_SMALLBIG") make.delvar("LMP_INC","-DLAMMPS_SMALLSMALL") make.addvar("LMP_INC","-DLAMMPS_BIGBIG") elif one == "smallsmall": make.delvar("LMP_INC","-DLAMMPS_SMALLBIG") make.delvar("LMP_INC","-DLAMMPS_BIGBIG") make.addvar("LMP_INC","-DLAMMPS_SMALLSMALL") # add FFT, JPG, PNG settings if fft: make.delvar("FFT_INC","*") make.delvar("FFT_PATH","*") make.delvar("FFT_LIB","*") if fft.mode == "none": make.addvar("FFT_INC","-DFFT_NONE") else: make.addvar("FFT_INC","-DFFT_%s" % fft.mode.upper()) make.addvar("FFT_LIB",fft.lib) if fft.dir: make.addvar("FFT_INC","-I%s/include" % fft.dir) make.addvar("FFT_PATH","-L%s/lib" % fft.dir) else: if fft.incdir: make.addvar("FFT_INC","-I%s" % fft.incdir) if fft.libdir: make.addvar("FFT_PATH","-L%s" % fft.libdir) if jpg: if jpg.on == 0: make.delvar("LMP_INC","-DLAMMPS_JPEG") make.delvar("JPG_LIB","-ljpeg") else: make.addvar("LMP_INC","-DLAMMPS_JPEG") make.addvar("JPG_LIB","-ljpeg") if jpg.dir: make.addvar("JPG_INC","-I%s/include" % jpg.dir) make.addvar("JPG_PATH","-L%s/lib" % jpg.dir) else: if jpg.incdir: make.addvar("JPG_INC","-I%s" % jpg.incdir) if jpg.libdir: make.addvar("JPG_PATH","-L%s" % jpg.libdir) if png: if png.on == 0: make.delvar("LMP_INC","-DLAMMPS_PNG") make.delvar("JPG_LIB","-lpng") else: make.addvar("LMP_INC","-DLAMMPS_PNG") make.addvar("JPG_LIB","-lpng") if png.dir: make.addvar("JPG_INC","-I%s/include" % png.dir) make.addvar("JPG_PATH","-L%s/lib" % png.dir) else: if png.incdir: make.addvar("JPG_INC","-I%s" % png.incdir) if png.libdir: make.addvar("JPG_PATH","-L%s" % png.libdir) # set self.stubs if Makefile.auto uses STUBS lib in MPI settings if "-lmpi_stubs" in make.getvar("MPI_LIB"): self.stubs = 1 else: self.stubs = 0 # write out Makefile.auto # unless caller = "exe" and "file" action already invoked if caller == "file" or "file" not in self.alist: make.write("%s/MAKE/MINE/Makefile.auto" % dir.src,1) print "Created src/MAKE/MINE/Makefile.auto" # test full compile and link # unless caller = "file" and "exe" action will be invoked later if caller == "file" and "exe" in self.alist: return compiler = precompiler + ' '.join(make.getvar("CC")) ccflags = ' '.join(make.getvar("CCFLAGS")) linker = precompiler + ' '.join(make.getvar("LINK")) linkflags = ' '.join(make.getvar("LINKFLAGS")) if not compile_check(compiler,ccflags,1): error("Test of compilation failed") if not link_check(linker,linkflags,1): error("Test of link failed") # invoke "make clean-auto" to force clean before build def clean(self): str = "cd %s; make clean-auto" % dir.src commands.getoutput(str) print "Performed make clean-auto" # build LAMMPS using Makefile.auto and -j setting # invoke self.file() first, to test makefile compile/link # delete existing lmp_auto, so can detect if build fails # build STUBS lib (if unbuilt) if Makefile.auto MPI settings need it def exe(self): self.file("exe") commands.getoutput("cd %s; rm -f lmp_auto" % dir.src) if self.stubs and not os.path.isfile("%s/STUBS/libmpi_stubs.a" % dir.src): print "building serial STUBS library ..." str = "cd %s/STUBS; make clean; make" % dir.src txt = commands.getoutput(str) if not os.path.isfile("%s/STUBS/libmpi_stubs.a" % dir.src): print txt error('Unsuccessful "make stubs"') print "Created src/STUBS/libmpi_stubs.a" if jmake: str = "cd %s; make -j %d auto" % (dir.src,jmake.n) else: str = "cd %s; make auto" % dir.src # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/lmp_auto" % dir.src): error('Unsuccessful "make auto"') elif not output: print "Created src/lmp_auto" # dir switch class Dir: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -d dir dir = LAMMPS home dir if -d not specified, working dir must be lammps/src """ def check(self): if self.inlist != None and len(self.inlist) != 1: error("-d args are invalid") # if inlist = None, check that cwd = lammps/src # store cwd and lammps dir # derive src,make,lib dirs from lammps dir # check that they all exist def setup(self): self.cwd = os.getcwd() if self.inlist == None: self.lammps = ".." else: self.lammps = self.inlist[0] self.lammps = os.path.realpath(self.lammps) self.src = self.lammps + "/src" self.make = self.lammps + "/src/MAKE" self.lib = self.lammps + "/lib" if not os.path.isdir(self.lammps): error("LAMMPS home dir is invalid") if not os.path.isdir(self.src): error("LAMMPS src dir is invalid") if not os.path.isdir(self.lib): error("LAMMPS lib dir is invalid") # help switch class Help: def __init__(self,list): pass def help(self): return """ Syntax: Make.py switch args ... switches can be listed in any order help switch: -h prints help and syntax for all other specified switches switch for actions: -a lib-all, lib-dir, clean, file, exe or machine list one or more actions, in any order machine is a Makefile.machine suffix one-letter switches: -d (dir), -j (jmake), -m (makefile), -o (output), -p (packages), -r (redo), -s (settings), -v (verbose) switches for libs: - -atc, -awpmd, -colvars, -cuda - -gpu, -meam, -poems, -qmmm, -reax, -voronoi + -atc, -awpmd, -colvars, -cuda, -gpu, -h5md, + -meam, -poems, -python, -qmmm, -reax, -voronoi switches for build and makefile options: -intel, -kokkos, -cc, -mpi, -fft, -jpg, -png """ # jmake switch class Jmake: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -j N use N procs for performing parallel make commands used when building a lib or LAMMPS itself if -j not specified, serial make commands run on single core """ def check(self): if len(self.inlist) != 1: error("-j args are invalid") if not self.inlist[0].isdigit(): error("-j args are invalid") n = int(self.inlist[0]) if n <= 0: error("-j args are invalid") self.n = n # makefile switch class Makefile: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -m machine use Makefile.machine under src/MAKE as starting point to create Makefile.auto if machine = "none", file action will create Makefile.auto from scratch must use -cc and -mpi switches to specify compiler and MPI if -m not specified, file/exe actions alter existing Makefile.auto """ def check(self): if len(self.inlist) != 1: error("-m args are invalid") self.machine = self.inlist[0] # output switch class Output: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -o machine copy final src/lmp_auto to lmp_machine in working dir if -o not specified, exe action only produces src/lmp_auto """ def check(self): if len(self.inlist) != 1: error("-o args are invalid") self.machine = self.inlist[0] # packages switch class Packages: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -p = package1 package2 ... list of packages to install or uninstall in order specified operates on set of packages currently installed valid package names: - and LAMMPS standard or user package (type "make package" to see list) + any LAMMPS standard or user package (type "make package" to see list) prefix by yes/no to install/uninstall (see abbrevs) yes-molecule, yes-user-atc, no-molecule, no-user-atc can use LAMMPS categories (type "make package" to see list) all = all standard and user packages (also none = no-all) std (or standard) = all standard packages user = all user packages lib = all standard and user packages with auxiliary libs can abbreviate package names and yes/no omp = user-omp = yes-user-omp ^omp = ^user-omp = no-user-omp user = yes-user, ^user = no-user all = yes-all, ^all = none = no-all when action performed, list is processed in order, as if typed "make yes/no" for each if "orig" or "original" is last package in list, set of installed packages will be restored to original (current) list after "build" action is performed if -p not specified, currently installed packages are not changed """ def check(self): if self.inlist != None and not self.inlist: error("-p args are invalid") def setup(self): # extract package lists from src/Makefile # remove names from lib that there are not Make.py lib-classes for # most don't actually have libs, so nothing to control from Make.py make = MakeReader("%s/Makefile" % dir.src) std = make.getvar("PACKAGE") user = make.getvar("PACKUSER") lib = make.getvar("PACKLIB") lib.remove("kim") lib.remove("kokkos") lib.remove("user-molfile") lib.remove("python") lib.remove("user-quip") all = std + user # plist = command line args expanded to yes-package or no-package plist = [] if self.inlist: for one in self.inlist: if one in std: plist.append("yes-%s" % one) elif one in user: plist.append("yes-%s" % one) elif "user-"+one in user: plist.append("yes-user-%s" % one) elif one == "std" or one == "standard" or one == "user" or \ one == "lib" or one == "all": plist.append("yes-%s" % one) elif one.startswith("yes-"): if one[4:] in std: plist.append("yes-%s" % one[4:]) elif one[4:] in user: plist.append("yes-%s" % one[4:]) elif "user-"+one[4:] in user: plist.append("yes-user-%s" % one[4:]) elif one == "yes-std" or one == "yes-standard" or \ one == "yes-user" or one == "yes-lib" or one == "yes-all": plist.append("yes-%s" % one[4:]) else: error("Invalid package name %s" % one) elif one.startswith("no-"): if one[3:] in std: plist.append("no-%s" % one[3:]) elif one[3:] in user: plist.append("no-%s" % one[3:]) elif "user-"+one[3:] in user: plist.append("no-user-%s" % one[3:]) elif one == "no-std" or one == "no-standard" or one == "no-user" or \ one == "no-lib" or one == "no-all": plist.append("no-%s" % one[3:]) else: error("Invalid package name %s" % one) elif one.startswith('^'): if one[1:] in std: plist.append("no-%s" % one[1:]) elif one[1:] in user: plist.append("no-%s" % one[1:]) elif "user-"+one[1:] in user: plist.append("no-user-%s" % one[1:]) elif one == "^std" or one == "^standard" or one == "^user" or \ one == "^lib" or one == "^all": plist.append("no-%s" % one[1:]) else: error("Invalid package name %s" % one) elif one == "none": plist.append("no-all") elif one == "orig": plist.append(one) else: error("Invalid package name %s" % one) if "orig" in plist and plist.index("orig") != len(plist)-1: error('-p orig arg must be last') if plist.count("orig") > 1: error('-p orig arg must be last') # original = dict of all packages # key = package name, value = 1 if currently installed, else 0 original = {} str = "cd %s; make ps" % dir.src output = commands.getoutput(str).split('\n') pattern = "Installed\s+(\w+): package (\S+)" for line in output: m = re.search(pattern,line) if not m: continue pkg = m.group(2).lower() if pkg not in all: error('Package list does not math "make ps" results') if m.group(1) == "NO": original[pkg] = 0 elif m.group(1) == "YES": original[pkg] = 1 # final = dict of all packages after plist applied to original # key = package name, value = 1 if installed, else 0 final = copy.deepcopy(original) for i,one in enumerate(plist): if "yes" in one: pkg = one[4:] yes = 1 else: pkg = one[3:] yes = 0 if pkg in all: final[pkg] = yes elif pkg == "std" or pkg == "standard": for pkg in std: final[pkg] = yes elif pkg == "user": for pkg in user: final[pkg] = yes elif pkg == "lib": for pkg in lib: final[pkg] = yes elif pkg == "all": for pkg in all: final[pkg] = yes self.std = std self.user = user self.lib = lib self.all = all self.plist = plist self.original = original self.final = final # install packages in plist def install(self): if self.plist: print "Installing packages ..." for one in self.plist: if one == "orig": continue commands.getoutput("cd %s; make %s" % (dir.src,one)) if self.plist and verbose: txt = commands.getoutput("cd %s; make ps" % dir.src) print "Package status after installation:" print txt # restore packages to original list if requested # order of re-install should not matter matter b/c of Depend.sh def uninstall(self): if not self.plist or self.plist[-1] != "orig": return print "Restoring packages to original state ..." commands.getoutput("cd %s; make no-all" % dir.src) for one in self.all: if self.original[one]: commands.getoutput("cd %s; make yes-%s" % (dir.src,one)) if verbose: txt = commands.getoutput("cd %s; make ps" % dir.src) print "Restored package status:" print txt # redo switch class Redo: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -r file label1 label2 ... all args are optional invoke Make.py commands from a file other specified switches are merged with file commands (see below) redo file format: blank lines and lines starting with "#" are skipped other lines are treated as commands each command is a list of Make.py args, as if typed at command-line commands can have leading label, followed by ":" commands cannot contain a "-r" switch if no args, execute previous command, which is stored in src/Make.py.last if one arg, execute all commands from specified file unlabeled or labeled commands are all executed if multiple args, execute only matching labeled commands from file if other switches are specified, if file command does not have the switch, it is added if file command has the switch, the specified switch replaces it except if -a (action) switch is both specified and in the file command, two sets of actions are merged and duplicates removed if both switches have "exe or machine" action, the specified exe/machine overrides the file exe/machine """ def check(self): if len(self.inlist) == 0: self.dir = 1 self.file = "Make.py.last" self.labels = [] else: self.dir = 0 self.file = self.inlist[0] self.labels = self.inlist[1:] # read redo file # self.commands = list of commands to execute def setup(self): file = self.file if not os.path.isfile(file): error("Redo file %s does not exist" % file) lines = open(file,'r').readlines() cmdlines = [] for line in lines: line = line.strip() if not line or line[0] == '#' : continue cmdlines.append(line) # if no labels, add all file commands to command list # if labels, make a dict with key = label, value = command # and discard unlabeled commands dict = {} commands = [] for line in cmdlines: words = line.split() if "-r" in words: error("Redo command cannot contain -r switch") if words[0][-1] == ':': label = words[0][:-1] else: label = None if not self.labels: if label: commands.append(' '.join(words[1:])) else: commands.append(line) else: if not label: continue dict[label] = ' '.join(words[1:]) # extract labeled commands from dict and add to command list for label in self.labels: if label not in dict: error("Redo label not in redo file") commands.append(dict[label]) self.commands = commands # settings switch class Settings: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -s set1 set2 ... possible settings = gzip smallbig bigbig smallsmall add each setting as LAMMPS setting to created Makefile.auto if -s not specified, no settings are changed in Makefile.auto """ def check(self): if not self.inlist: error("-s args are invalid") for one in self.inlist: if one not in setargs: error("-s args are invalid") # verbose switch class Verbose: def __init__(self,list): self.inlist = copy.copy(list) def help(self): return """ -v (no arguments) produce verbose output as Make.py executes if -v not specified, minimal output is produced """ def check(self): if len(self.inlist): error("-v args are invalid") # ---------------------------------------------------------------- # lib classes, one per LAMMPS auxiliary lib # ---------------------------------------------------------------- # ATC lib class ATC: def __init__(self,list): self.inlist = copy.copy(list) self.make = "g++" self.lammpsflag = 0 def help(self): return """ -atc make=suffix lammps=suffix2 all args are optional and can be in any order make = use Makefile.suffix (def = g++) lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-atc args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-atc args are invalid") if words[0] == "make": self.make = words[1] elif words[0] == "lammps": self.lammps = words[1] self.lammpsflag = 1 else: error("-atc args are invalid") def build(self): libdir = dir.lib + "/atc" make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) if self.lammpsflag: make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) make.write("%s/Makefile.auto" % libdir) commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir) if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n) else: str = "cd %s; make -f Makefile.auto" % libdir # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/libatc.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/atc library") else: print "Created lib/atc library" # AWPMD lib class AWPMD: def __init__(self,list): self.inlist = copy.copy(list) self.make = "mpicc" self.lammpsflag = 0 def help(self): return """ -awpmd make=suffix lammps=suffix2 all args are optional and can be in any order make = use Makefile.suffix (def = mpicc) lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-awpmd args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-awpmd args are invalid") if words[0] == "make": self.make = words[1] elif words[0] == "lammps": self.lammps = words[1] self.lammpsflag = 1 else: error("-awpmd args are invalid") def build(self): libdir = dir.lib + "/awpmd" make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) if self.lammpsflag: make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) make.write("%s/Makefile.auto" % libdir) commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir) if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n) else: str = "cd %s; make -f Makefile.auto" % libdir # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/libawpmd.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/awpmd library") else: print "Created lib/awpmd library" # COLVARS lib class COLVARS: def __init__(self,list): self.inlist = copy.copy(list) self.make = "g++" self.lammpsflag = 0 def help(self): return """ -colvars make=suffix lammps=suffix2 all args are optional and can be in any order make = use Makefile.suffix (def = g++) lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-colvars args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-colvars args are invalid") if words[0] == "make": self.make = words[1] elif words[0] == "lammps": self.lammps = words[1] self.lammpsflag = 1 else: error("-colvars args are invalid") def build(self): libdir = dir.lib + "/colvars" make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) if self.lammpsflag: make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) make.write("%s/Makefile.auto" % libdir) commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir) if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n) else: str = "cd %s; make -f Makefile.auto" % libdir # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/libcolvars.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/colvars library") else: print "Created lib/colvars library" # CUDA lib class CUDA: def __init__(self,list): self.inlist = copy.copy(list) self.mode = "double" self.arch = "31" def help(self): return """ -cuda mode=double arch=31 all args are optional and can be in any order mode = double or mixed or single (def = double) arch = M (def = 31) M = 31 for Kepler M = 20 for CC2.0 (GF100/110, e.g. C2050,GTX580,GTX470) M = 21 for CC2.1 (GF104/114, e.g. GTX560, GTX460, GTX450) M = 13 for CC1.3 (GF200, e.g. C1060, GTX285) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-cuda args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-cuda args are invalid") if words[0] == "mode": self.mode = words[1] elif words[0] == "arch": self.arch = words[1] else: error("-cuda args are invalid") if self.mode != "double" and self.mode != "mixed" and \ self.mode != "single": error("-cuda args are invalid") if not self.arch.isdigit(): error("-cuda args are invalid") def build(self): libdir = dir.lib + "/cuda" commands.getoutput("cd %s; make clean" % libdir) if self.mode == "double": n = 2 elif self.mode == "mixed": n = 3 elif self.mode == "single": n = 1 if jmake: str = "cd %s; make -j %d precision=%d arch=%s" % \ (libdir,jmake.n,n,self.arch) else: str = str = "cd %s; make precision=%d arch=%s" % \ (libdir,n,self.arch) # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/liblammpscuda.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/cuda library") else: print "Created lib/cuda library" # GPU lib class GPU: def __init__(self,list): self.inlist = copy.copy(list) self.make = "linux.double" self.lammpsflag = self.modeflag = self.archflag = 0 def help(self): return """ -gpu make=suffix lammps=suffix2 mode=double arch=N all args are optional and can be in any order make = use Makefile.suffix (def = linux.double) lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) mode = double or mixed or single (def = CUDA_PREC in makefile) arch = 31 (Kepler) or 21 (Fermi) (def = CUDA_ARCH in makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-gpu args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-gpu args are invalid") if words[0] == "make": self.make = words[1] elif words[0] == "lammps": self.lammps = words[1] self.lammpsflag = 1 elif words[0] == "mode": self.mode = words[1] self.modeflag = 1 elif words[0] == "arch": self.arch = words[1] self.archflag = 1 else: error("-gpu args are invalid") if self.modeflag and (self.mode != "double" and self.mode != "mixed" and self.mode != "single"): error("-gpu args are invalid") if self.archflag and not self.arch.isdigit(): error("-gpu args are invalid") def build(self): libdir = dir.lib + "/gpu" make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) if self.modeflag: if self.mode == "double": make.setvar("CUDA_PRECISION","-D_DOUBLE_DOUBLE") elif self.mode == "mixed": make.setvar("CUDA_PRECISION","-D_SINGLE_DOUBLE") elif self.mode == "single": make.setvar("CUDA_PRECISION","-D_SINGLE_SINGLE") if self.archflag: make.setvar("CUDA_ARCH","-arch=sm_%s" % self.arch) if self.lammpsflag: make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) make.write("%s/Makefile.auto" % libdir) commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir) if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n) else: str = "cd %s; make -f Makefile.auto" % libdir # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/libgpu.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/gpu library") else: print "Created lib/gpu library" +# H5MD lib + +class H5MD: + def __init__(self,list): + self.inlist = copy.copy(list) + self.make = "h5cc" + self.lammpsflag = 0 + + def help(self): + return """ +-h5md make=suffix lammps=suffix2 + all args are optional and can be in any order + make = use Makefile.suffix (def = h5cc) + lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) +""" + + def check(self): + if self.inlist != None and len(self.inlist) == 0: + error("-h5md args are invalid") + for one in self.inlist: + words = one.split('=') + if len(words) != 2: error("-h5md args are invalid") + if words[0] == "make": self.make = words[1] + elif words[0] == "lammps": + self.lammps = words[1] + self.lammpsflag = 1 + else: error("-h5md args are invalid") + + def build(self): + libdir = dir.lib + "/h5md" + make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) + if self.lammpsflag: + make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) + make.write("%s/Makefile.auto" % libdir) + + commands.getoutput("cd %s; make clean" % libdir) + str = "cd %s; make" % libdir + + # if verbose, print output as build proceeds, else only print if fails + + if verbose: subprocess.call(str,shell=True) + else: + try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) + except Exception as e: print e.output + + if not os.path.isfile("%s/libch5md.a" % libdir) or \ + not os.path.isfile("%s/Makefile.lammps" % libdir): + error("Unsuccessful build of lib/h5md library") + else: print "Created lib/h5md library" + # MEAM lib class MEAM: def __init__(self,list): self.inlist = copy.copy(list) self.make = "gfortran" self.lammpsflag = 0 def help(self): return """ -meam make=suffix lammps=suffix2 all args are optional and can be in any order make = use Makefile.suffix (def = gfortran) lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-meam args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-meam args are invalid") if words[0] == "make": self.make = words[1] elif words[0] == "lammps": self.lammps = words[1] self.lammpsflag = 1 else: error("-meam args are invalid") def build(self): libdir = dir.lib + "/meam" make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) if self.lammpsflag: make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) make.write("%s/Makefile.auto" % libdir) commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir) # do not use -j for MEAM build, parallel build does not work str = "cd %s; make -f Makefile.auto" % libdir # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/libmeam.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/meam library") else: print "Created lib/meam library" # POEMS lib class POEMS: def __init__(self,list): self.inlist = copy.copy(list) self.make = "g++" self.lammpsflag = 0 def help(self): return """ -poems make=suffix lammps=suffix2 all args are optional and can be in any order make = use Makefile.suffix (def = g++) lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-poems args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-poems args are invalid") if words[0] == "make": self.make = words[1] elif words[0] == "lammps": self.lammps = words[1] self.lammpsflag = 1 else: error("-poems args are invalid") def build(self): libdir = dir.lib + "/poems" make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) if self.lammpsflag: make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) make.write("%s/Makefile.auto" % libdir) commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir) if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n) else: str = "cd %s; make -f Makefile.auto" % libdir # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/libpoems.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/poems library") else: print "Created lib/poems library" +# PYTHON lib + +class PYTHON: + def __init__(self,list): + self.inlist = copy.copy(list) + self.make = "g++" + self.lammpsflag = 0 + + def help(self): + return """ +-python lammps=suffix + arg is optional, use Makefile.lammps if not specified + lammps = use Makefile.lammps.suffix +""" + + def check(self): + if self.inlist != None and len(self.inlist) == 0: + error("-python args are invalid") + for one in self.inlist: + words = one.split('=') + if len(words) != 2: error("-python args are invalid") + if words[0] == "lammps": + self.lammps = words[1] + self.lammpsflag = 1 + else: error("-python args are invalid") + + def build(self): + libdir = dir.lib + "/python" + if self.lammpsflag: + commands.getoutput("cd %s; cp Makefile.lammps.%s Makefile.lammps" % + (libdir,self.lammps)) + if not os.path.isfile("%s/Makefile.lammps.%s" % (libdir,self.lammps)): + error("Unsuccessful creation of lib/python/Makefile.lammps.%s file" % self.lammps) + else: print "Created lib/python/Makefile.lammps file" + # QMMM lib class QMMM: def __init__(self,list): self.inlist = copy.copy(list) self.make = "gfortran" self.lammpsflag = 0 def help(self): return """ -qmmm make=suffix lammps=suffix2 all args are optional and can be in any order make = use Makefile.suffix (def = gfortran) lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-qmmm args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-qmmm args are invalid") if words[0] == "make": self.make = words[1] elif words[0] == "lammps": self.lammps = words[1] self.lammpsflag = 1 else: error("-qmmm args are invalid") def build(self): libdir = dir.lib + "/qmmm" make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) if self.lammpsflag: make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) make.write("%s/Makefile.auto" % libdir) commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir) if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n) else: str = "cd %s; make -f Makefile.auto" % libdir # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/libqmmm.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/qmmm library") else: print "Created lib/qmmm library" # REAX lib class REAX: def __init__(self,list): self.inlist = copy.copy(list) self.make = "gfortran" self.lammpsflag = 0 def help(self): return """ -reax make=suffix lammps=suffix2 all args are optional and can be in any order make = use Makefile.suffix (def = gfortran) lammps = use Makefile.lammps.suffix2 (def = EXTRAMAKE in makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-reax args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-reax args are invalid") if words[0] == "make": self.make = words[1] elif words[0] == "lammps": self.lammps = words[1] self.lammpsflag = 1 else: error("-reax args are invalid") def build(self): libdir = dir.lib + "/reax" make = MakeReader("%s/Makefile.%s" % (libdir,self.make)) if self.lammpsflag: make.setvar("EXTRAMAKE","Makefile.lammps.%s" % self.lammps) make.write("%s/Makefile.auto" % libdir) commands.getoutput("cd %s; make -f Makefile.auto clean" % libdir) if jmake: str = "cd %s; make -j %d -f Makefile.auto" % (libdir,jmake.n) else: str = "cd %s; make -f Makefile.auto" % libdir # if verbose, print output as build proceeds, else only print if fails if verbose: subprocess.call(str,shell=True) else: try: subprocess.check_output(str,stderr=subprocess.STDOUT,shell=True) except Exception as e: print e.output if not os.path.isfile("%s/libreax.a" % libdir) or \ not os.path.isfile("%s/Makefile.lammps" % libdir): error("Unsuccessful build of lib/reax library") else: print "Created lib/reax library" # VORONOI lib class VORONOI: def __init__(self,list): self.inlist = copy.copy(list) self.install = "" def help(self): return """ -voronoi install="-d dir -v version -g -b -i installdir -l incdir libdir" arg is optional, only needed if want to run install.py script install = args to use with lib/voronoi/install.py script must enclose in quotes since install.py args have switches install.py can download, build, install, setup links to the Voro++ library see lib/voronoi/README for details on Voro++ and using install.py """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-voronoi args are invalid") for one in self.inlist: words = one.split('=') if len(words) != 2: error("-voronoi args are invalid") if words[0] == "install": self.install = words[1] else: error("-voronoi args are invalid") def build(self): if not self.install: return libdir = dir.lib + "/voronoi" cmd = "cd %s; python install.py %s" % (libdir,self.install) txt = commands.getoutput(cmd) if verbose: print txt print "Created lib/voronoi library" # ---------------------------------------------------------------- # build classes for intel, kokkos build options # ---------------------------------------------------------------- # Intel class class Intel: def __init__(self,list): self.inlist = copy.copy(list) self.mode = "cpu" def help(self): return """ -intel mode mode = cpu or phi (def = cpu) build Intel package for CPU or Xeon Phi """ def check(self): if self.inlist == None: return if len(self.inlist) != 1: error("-intel args are invalid") self.mode = self.inlist[0] if self.mode != "cpu" and self.mode != "phi": error("-intel args are invalid") # Kokkos class class Kokkos: def __init__(self,list): self.inlist = copy.copy(list) self.mode = "" self.archflag = 0 def help(self): return """ -kokkos mode arch=N mode is not optional, arch is optional mode = omp or cuda or phi (def = KOKKOS_DEVICES setting in Makefile ) build Kokkos package for omp or cuda or phi set KOKKOS_DEVICES to "OpenMP" (omp, phi) or "Cuda, OpenMP" (cuda) arch = 31 (Kepler) or 21 (Fermi) (def = -arch setting in Makefile) """ def check(self): if self.inlist != None and len(self.inlist) == 0: error("-kokkos args are invalid") if self.inlist == None: return if len(self.inlist) < 1: error("-kokkos args are invalid") self.mode = self.inlist[0] if self.mode != "omp" and self.mode != "cuda" and self.mode != "phi": error("-kokkos args are invalid") for one in self.inlist[1:]: words = one.split('=') if len(words) != 2: error("-kokkos args are invalid") if words[0] == "arch": self.arch = words[1] self.archflag = 1 else: error("-kokkos args are invalid") # ---------------------------------------------------------------- # makefile classes for CC, MPI, JPG, PNG, FFT settings # ---------------------------------------------------------------- # Cc class class Cc: def __init__(self,list): self.inlist = copy.copy(list) self.compiler = self.abbrev = "" self.wrap = "" def help(self): return """ -cc compiler wrap=wcompiler change CC setting in makefile compiler is required, all other args are optional compiler = any string with g++ or icc or icpc or mpi (or mpicxx, mpiCC, mpiicpc, etc) can be compiler name or full path to compiler mpi by itself is changed to mpicxx wcompiler = compiler for mpi wrapper to use use nvcc for building for Kokkos/cuda with provided nvcc_wrapper """ def check(self): if len(self.inlist) < 1: error("-cc args are invalid") self.compiler = self.inlist[0] if self.compiler == "mpi": self.compiler = "mpicxx" self.abbrev = "mpi" elif self.compiler.startswith("mpi"): self.abbrev = "mpi" elif self.compiler == "g++" or self.compiler == "icc" or \ self.compiler == "icpc": self.abbrev = self.compiler elif "mpi" in self.compiler: self.abbrev = "mpi" elif "g++" in self.compiler: self.abbrev = "g++" elif "icc" in self.compiler: self.abbrev = "icc" elif "icpc" in self.compiler: self.abbrev = "icpc" else: error("-cc args are invalid") for one in self.inlist[1:]: words = one.split('=') if len(words) != 2: error("-cc args are invalid") if words[0] == "wrap": if self.abbrev != "mpi": error("-cc compiler is not a wrapper") self.wrap = words[1] else: error("-cc args are invalid") # Mpi class class Mpi: def __init__(self,list): self.inlist = copy.copy(list) self.style = self.dir = "" def help(self): return """ -mpi style dir=path change MPI settings in makefile style is required, all other args are optional style = mpi or mpich or ompi or serial mpi = no MPI settings (assume compiler is MPI wrapper) mpich = use explicit settings for MPICH ompi = use explicit settings for OpenMPI serial = use settings for src/STUBS library dir = path for MPICH or OpenMPI directory add -I and -L settings for include and lib sub-dirs """ def check(self): if len(self.inlist) < 1: error("-mpi args are invalid") self.style = self.inlist[0] if self.style != "mpi" and self.style != "mpich" and \ self.style != "ompi" and self.style != "serial": error("-mpi args are invalid") for one in self.inlist[1:]: words = one.split('=') if len(words) != 2: error("-mpi args are invalid") if words[0] == "dir": self.dir = words[1] else: error("-mpi args are invalid") # Fft class class Fft: def __init__(self,list): self.inlist = copy.copy(list) self.dir = self.incdir = self.libdir = "" def help(self): return """ -fft mode lib=libname dir=homedir idir=incdir ldir=libdir change FFT settings in makefile mode is required, all other args are optional removes all current FFT variable settings mode = none or fftw or fftw3 or ... adds -DFFT_MODE setting lib = name of FFT library to link with (def is libname = mode) adds -llib{libname} setting, e.g. -llibfftw3 dir = home dir for include and library files (def = none) adds -Idir/include and -Ldir/lib settings if set, overrides idir and ldir args idir = dir for include file (def = none) adds -Iidir setting ldir = dir for library file (def = none) adds -Lldir setting """ def check(self): if not len(self.inlist): error("-fft args are invalid") self.mode = self.inlist[0] self.lib = "-l%s" % self.mode for one in self.inlist[1:]: words = one.split('=') if len(words) != 2: error("-fft args are invalid") if words[0] == "lib": self.lib = "-l%s" % words[1] elif words[0] == "dir": self.dir = words[1] elif words[0] == "idir": self.incdir = words[1] elif words[0] == "ldir": self.libdir = words[1] else: error("-fft args are invalid") # Jpg class class Jpg: def __init__(self,list): self.inlist = copy.copy(list) self.on = 1 self.dir = self.incdir = self.libdir = "" def help(self): return """ -jpg flag dir=homedir idir=incdir ldir=libdir change JPG settings in makefile all args are optional, flag must come first if specified flag = yes or no (def = yes) include or exclude JPEG support adds/removes -DLAMMPS_JPEG and -ljpeg settings dir = home dir for include and library files (def = none) adds -Idir/include and -Ldir/lib settings if set, overrides idir and ldir args idir = dir for include file (def = none) adds -Iidir setting ldir = dir for library file (def = none) adds -Lldir setting """ def check(self): for i,one in enumerate(self.inlist): if one == "no" and i == 0: self.on = 0 elif one == "yes" and i == 0: self.on = 1 else: words = one.split('=') if len(words) != 2: error("-jpeg args are invalid") if words[0] == "dir": self.dir = words[1] elif words[0] == "idir": self.incdir = words[1] elif words[0] == "ldir": self.libdir = words[1] else: error("-jpeg args are invalid") # Png class class Png: def __init__(self,list): self.inlist = copy.copy(list) self.on = 1 self.dir = self.incdir = self.libdir = "" def help(self): return """ -png flag dir=homedir idir=incdir ldir=libdir change PNG settings in makefile all args are optional, flag must come first if specified flag = yes or no (def = yes) include or exclude PNG support adds/removes -DLAMMPS_PNG and -lpng settings dir = home dir for include and library files (def = none) adds -Idir/include and -Ldir/lib settings if set, overrides idir and ldir args idir = dir for include file (def = none) adds -Iidir setting ldir = dir for library file (def = none) adds -Lldir setting """ def check(self): for i,one in enumerate(self.inlist): if one == "no" and i == 0: self.on = 0 elif one == "yes" and i == 0: self.on = 1 else: words = one.split('=') if len(words) != 2: error("-png args are invalid") if words[0] == "dir": self.dir = words[1] elif words[0] == "idir": self.incdir = words[1] elif words[0] == "ldir": self.libdir = words[1] else: error("-png args are invalid") # ---------------------------------------------------------------- # auxiliary classes # ---------------------------------------------------------------- # read, tweak, and write a Makefile class MakeReader: # read a makefile # flag = 0 if file is full path name # flag = 1,2 if file is suffix for any Makefile.machine under src/MAKE # look for this file in same order that src/Makefile does # if flag = 1, read the file # if flag = 2, just check if file exists def __init__(self,file,flag=0): if flag == 0: if not os.path.isfile(file): error("Makefile %s does not exist" % file) lines = open(file,'r').readlines() else: mfile = "%s/MAKE/MINE/Makefile.%s" % (dir.src,file) if not os.path.isfile(mfile): mfile = "%s/MAKE/Makefile.%s" % (dir.src,file) if not os.path.isfile(mfile): mfile = "%s/MAKE/OPTIONS/Makefile.%s" % (dir.src,file) if not os.path.isfile(mfile): mfile = "%s/MAKE/MACHINES/Makefile.%s" % (dir.src,file) if not os.path.isfile(mfile): error("Makefile.%s does not exist" % file) if flag == 1: lines = open(mfile,'r').readlines() else: return # scan lines of makefile # if not a variable line, just copy to newlines # if a variable line, concatenate any continuation lines # convert variable to var dict entry: key = name, value = list of words # discard any portion of value string with a comment char # varinfo = list of variable info: (name, name with whitespace for print) # add index into varinfo to newlines # ccindex = index of "CC =" line, to add OMPI var before it # lmpindex = index of "LAMMPS-specific settings" line to add KOKKOS vars before it var = {} varinfo = [] newlines = [] pattern = "(\S+\s+=\s+)(.*)" conditional = 0 multiline = 0 self.ccindex = self.lmpindex = 0 for line in lines: line = line[:-1] if "CC =" in line: self.ccindex = len(newlines) if "LAMMPS-specific settings" in line: self.lmpindex = len(newlines) if "ifeq" in line: conditional = 1 continue if conditional: if "endif" in line: conditional = 0 continue if multiline: if '#' in line: line = line[:line.find('#')] morevalues = line.split() values = values[:-1] + morevalues if values[-1] != '\\': var[name] = values multiline = 0 newlines.append(str(len(varinfo))) varinfo.append((name,namewhite)) continue varflag = 1 if len(line.strip()) == 0: varflag = 0 elif line.lstrip()[0] == '#': varflag = 0 else: m = re.match(pattern,line) if not m: varflag = 0 if varflag: namewhite = m.group(1) name = namewhite.split()[0] if name in var: error("Makefile variable %s appears more than once" % name) remainder = m.group(2) if '#' in remainder: remainder = remainder[:remainder.find('#')] values = remainder.split() if values and values[-1] == '\\': multiline = 1 else: var[name] = values newlines.append(str(len(varinfo))) varinfo.append((name,namewhite)) else: newlines.append(line) self.var = var self.varinfo = varinfo self.lines = newlines # return list of values associated with var # return None if var not defined def getvar(self,var): if var in self.var: return self.var[var] else: return None # set var to single value # if var not defined, error def setvar(self,var,value): if var not in self.var: error("Variable %s not in makefile" % var) self.var[var] = [value] # add value to var # do not add if value already defined by var # if var not defined, # create new variable using "where" # where="cc", line before "CC =" line, use ":=" # where="lmp", 2 lines before "LAMMPS-specific settings" line, use "=" def addvar(self,var,value,where=""): if var in self.var: if value not in self.var[var]: self.var[var].append(value) else: if not where: error("Variable %s with value %s is not in makefile" % (var,value)) if where == "cc": if not self.ccindex: error("No 'CC =' line in makefile to add variable") index = self.ccindex varwhite = "%s :=\t\t" % var elif where == "lmp": if not self.lmpindex: error("No 'LAMMPS-specific settings line' " + "in makefile to add variable") index = self.lmpindex - 2 varwhite = "%s =\t\t" % var self.var[var] = [value] varwhite = "%s =\t\t" % var self.lines.insert(index,str(len(self.varinfo))) self.varinfo.append((var,varwhite)) # if value = None, remove entire var # no need to update lines or varinfo, write() will ignore deleted vars # else remove value from var # value can have trailing '*' to remove wildcard match # if var or value not defined, ignore it def delvar(self,var,value=None): #if var == "KOKKOS_DEVICES": # print self.var,value if var not in self.var: return if not value: del self.var[var] #print "AGAIN",self.var elif value and value[-1] != '*': if value not in self.var[var]: return self.var[var].remove(value) else: value = value[:-1] values = self.var[var] dellist = [] for i,one in enumerate(values): if one.startswith(value): dellist.append(i) while dellist: values.pop(dellist.pop()) self.var[var] = values # write stored makefile lines to file, using vars that may have been updated # do not write var if not in dict, since has been deleted # wrap var values into multiple lines if needed # file = 1 if this is Makefile.auto, change 1st line to use "auto" def write(self,file,flag=0): fp = open(file,'w') for i,line in enumerate(self.lines): if not line.isdigit(): if flag and i == 0: line = "# auto = makefile auto-generated by Make.py" print >>fp,line else: index = int(line) name = self.varinfo[index][0] txt = self.varinfo[index][1] if name not in self.var: continue values = self.var[name] print >>fp,"%s%s" % (txt,' '.join(values)) # ---------------------------------------------------------------- # main program # ---------------------------------------------------------------- # parse command-line args # switches dict: key = switch letter, value = list of args # switch_order = list of switches in order # will possibly be merged with redo file args below cmd_switches,cmd_switch_order = parse_args(sys.argv[1:]) if "v" in cmd_switches: # debug #print "Command-line parsing:" #for switch in cmd_switch_order: # print " %s: %s" % (switch,' '.join(cmd_switches[switch])) pass # check for redo switch, process redo file # redolist = list of commands to execute redoflag = 0 redolist = [] if 'r' in cmd_switches and 'h' not in cmd_switches: redoflag = 1 redo = Redo(cmd_switches['r']) redo.check() redo.setup() redolist = redo.commands redoindex = 0 del redo if not redolist: error("No commands to execute from redo file") # loop over Make.py commands # if no redo switch, loop once for command-line command # if redo, loop over one or more commands from redo file while 1: # if redo: # parse next command from redo file # use command-line switches to add/replace file command switches # do not add -r, since already processed # and don't want -r swtich to appear in Make.py.last file # if -a in both: concatenate, de-dup, # specified exe/machine action replaces file exe/machine action # print resulting new command # else just use command-line switches if redoflag: if redoindex == len(redolist): break args = redolist[redoindex].split() switches,switch_order = parse_args(args) redoindex += 1 for switch in cmd_switches: if switch == 'r': continue if switch == 'a' and switch in switches: tmp = Actions(cmd_switches[switch] + switches[switch]) tmp.dedup() switches[switch] = tmp.inlist continue if switch not in switches: switch_order.append(switch) switches[switch] = cmd_switches[switch] argstr = switch2str(switches,switch_order) print "Redo command: Make.py",argstr else: switches = cmd_switches switch_order = cmd_switch_order # initialize all class variables to None for one in switchclasses: exec("%s = None" % one) for one in libclasses: exec("%s = None" % one) for one in buildclasses: exec("%s = None" % one) for one in makeclasses: exec("%s = None" % one) # classes = dictionary of created classes # key = switch, value = class instance classes = {} for switch in switches: if len(switch) == 1 and switch in abbrevs: i = abbrevs.index(switch) txt = '%s = classes["%s"] = %s(switches["%s"])' % \ (switchclasses[i],switch,switchclasses[i].capitalize(),switch) exec(txt) elif switch in libclasses: i = libclasses.index(switch) txt = '%s = classes["%s"] = %s(switches["%s"])' % \ (libclasses[i],switch,libclasses[i].upper(),switch) exec(txt) elif switch in buildclasses: i = buildclasses.index(switch) txt = '%s = classes["%s"] = %s(switches["%s"])' % \ (buildclasses[i],switch,buildclasses[i].capitalize(),switch) exec(txt) elif switch in makeclasses: i = makeclasses.index(switch) txt = '%s = classes["%s"] = %s(switches["%s"])' % \ (makeclasses[i],switch,makeclasses[i].capitalize(),switch) exec(txt) else: error("Unknown command-line switch -%s" % switch) # print help messages and exit if help or (actions and "-h" in actions.inlist) or not switches: if not help: help = Help(None) print help.help() for switch in switch_order: if switch == "h": continue print classes[switch].help()[1:] sys.exit() # create needed default classes if not specified with switch # dir and packages plus lib and build classes so defaults are set if not dir: dir = Dir(None) if not packages: packages = Packages(None) for one in libclasses: txt = "if not %s: %s = %s(None)" % (one,one,one.upper()) exec(txt) for one in buildclasses: txt = "if not %s: %s = %s(None)" % (one,one,one.capitalize()) exec(txt) # error check on args for all classes for switch in classes: classes[switch].check() # prep for action # actions.setup() detects if last action = machine # if yes, induce addition of "-m" and "-o" switches dir.setup() packages.setup() if actions: machine = actions.setup() if machine: switches['a'][-1] = "exe" if 'm' not in switches: switches['m'] = [machine] switch_order.insert(-1,'m') makefile = classes['m'] = Makefile(switches['m']) makefile.check() if 'o' not in switches: switches['o'] = [machine] switch_order.insert(-1,'o') output = classes['o'] = Output(switches['o']) output.check() # perform actions packages.install() if actions: for action in actions.alist: print "Action %s ..." % action if action.startswith("lib-"): actions.lib(action[4:]) elif action == "file": actions.file("file") elif action == "clean": actions.clean() elif action == "exe": actions.exe() packages.uninstall() # create output file if requested and exe action performed if output and actions and "exe" in actions.alist: txt = "cp %s/lmp_auto %s/lmp_%s" % (dir.src,dir.cwd,output.machine) commands.getoutput(txt) print "Created lmp_%s in %s" % (output.machine,dir.cwd) # write current Make.py command to src/Make.py.last fp = open("%s/Make.py.last" % dir.src,'w') print >>fp,"# last invoked Make.py command" print >>fp,switch2str(switches,switch_order) fp.close() # if not redoflag, done if not redoflag: break diff --git a/src/Makefile b/src/Makefile index 34838d7fd..a0d9cc822 100755 --- a/src/Makefile +++ b/src/Makefile @@ -1,317 +1,319 @@ -# LAMMPS multiple-machine Makefile +# LAMMPS multiple-machine -*- Makefile -*- SHELL = /bin/bash #.IGNORE: # Definitions ROOT = lmp EXE = lmp_$@ ARLIB = liblammps_$@.a SHLIB = liblammps_$@.so ARLINK = liblammps.a SHLINK = liblammps.so OBJDIR = Obj_$@ OBJSHDIR = Obj_shared_$@ SRC = $(wildcard *.cpp) INC = $(wildcard *.h) OBJ = $(SRC:.cpp=.o) SRCLIB = $(filter-out main.cpp,$(SRC)) OBJLIB = $(filter-out main.o,$(OBJ)) # Command-line options for mode: exe (default), shexe, lib, shlib mode = exe objdir = $(OBJDIR) ifeq ($(mode),shexe) objdir = $(OBJSHDIR) endif ifeq ($(mode),lib) objdir = $(OBJDIR) endif ifeq ($(mode),shlib) objdir = $(OBJSHDIR) endif # Package variables PACKAGE = asphere body class2 colloid compress coreshell dipole gpu \ granular kim \ kokkos kspace manybody mc meam misc molecule mpiio opt peri poems \ python qeq reax replica rigid shock snap srd voronoi xtc PACKUSER = user-atc user-awpmd user-cg-cmm user-colvars user-cuda \ user-diffraction user-dpd user-drude user-eff user-fep user-h5md \ user-intel user-lb user-mgpt \ user-misc user-molfile user-omp user-phonon user-qmmm user-qtb \ user-quip user-reaxc user-smd user-smtbq user-sph user-tally \ user-vtk PACKLIB = compress gpu kim kokkos meam poems python reax voronoi \ user-atc user-awpmd user-colvars user-cuda user-h5md user-molfile \ user-qmmm user-quip user-vtk PACKALL = $(PACKAGE) $(PACKUSER) PACKAGEUC = $(shell echo $(PACKAGE) | tr a-z A-Z) PACKUSERUC = $(shell echo $(PACKUSER) | tr a-z A-Z) YESDIR = $(shell echo $(@:yes-%=%) | tr a-z A-Z) NODIR = $(shell echo $(@:no-%=%) | tr a-z A-Z) # List of all targets help: @echo '' @echo 'make clean-all delete all object files' @echo 'make clean-machine delete object files for one machine' @echo 'make mpi-stubs build dummy MPI library in STUBS' @echo 'make install-python install LAMMPS wrapper in Python' @echo 'make tar create lmp_src.tar.gz of src dir and packages' @echo '' @echo 'make package list available packages' @echo 'make package-status (ps) status of all packages' @echo 'make yes-package install a single pgk in src dir' @echo 'make no-package remove a single pkg from src dir' @echo 'make yes-all install all pgks in src dir' @echo 'make no-all remove all pkgs from src dir' @echo 'make yes-standard (yes-std) install all standard pkgs' @echo 'make no-standard (no-std) remove all standard pkgs' @echo 'make yes-user install all user pkgs' @echo 'make no-user remove all user pkgs' @echo 'make no-lib remove all pkgs with external libs' @echo '' @echo 'make package-update (pu) replace src files with updated package files' @echo 'make package-overwrite replace package files with src files' @echo 'make package-diff (pd) diff src files against package files' @echo 'make package-purge purge obsolete copies of package sources' @echo '' @echo 'make machine build LAMMPS for machine' @echo 'make mode=lib machine build LAMMPS as static lib for machine' @echo 'make mode=shlib machine build LAMMPS as shared lib for machine' @echo 'make mode=shexe machine build LAMMPS as shared exe for machine' @echo 'make makelist create Makefile.list used by old makes' @echo 'make -f Makefile.list machine build LAMMPS for machine (old)' @echo '' @echo 'machine is one of these from src/MAKE:' @echo '' @files="`ls MAKE/Makefile.*`"; \ for file in $$files; do head -1 $$file; done @echo '' @echo '... or one of these from src/MAKE/OPTIONS:' @echo '' @files="`ls MAKE/OPTIONS/Makefile.*`"; \ for file in $$files; do head -1 $$file; done @echo '' @echo '... or one of these from src/MAKE/MACHINES:' @echo '' @files="`ls MAKE/MACHINES/Makefile.*`"; \ for file in $$files; do head -1 $$file; done @echo '' @echo '... or one of these from src/MAKE/MINE:' @echo '' @files="`ls MAKE/MINE/Makefile.* 2>/dev/null`"; \ for file in $$files; do head -1 $$file; done @echo '' # Build LAMMPS in one of 4 modes # exe = exe with static compile in Obj_machine (default) # shexe = exe with shared compile in Obj_shared_machine # lib = static lib in Obj_machine # shlib = shared lib in Obj_shared_machine .DEFAULT: @if [ $@ = "serial" -a ! -f STUBS/libmpi_stubs.a ]; \ then $(MAKE) mpi-stubs; fi @test -f MAKE/Makefile.$@ -o -f MAKE/OPTIONS/Makefile.$@ -o \ -f MAKE/MACHINES/Makefile.$@ -o -f MAKE/MINE/Makefile.$@ @if [ ! -d $(objdir) ]; then mkdir $(objdir); fi @$(SHELL) Make.sh style @if [ -f MAKE/MACHINES/Makefile.$@ ]; \ then cp MAKE/MACHINES/Makefile.$@ $(objdir)/Makefile; fi @if [ -f MAKE/OPTIONS/Makefile.$@ ]; \ then cp MAKE/OPTIONS/Makefile.$@ $(objdir)/Makefile; fi @if [ -f MAKE/Makefile.$@ ]; \ then cp MAKE/Makefile.$@ $(objdir)/Makefile; fi @if [ -f MAKE/MINE/Makefile.$@ ]; \ then cp MAKE/MINE/Makefile.$@ $(objdir)/Makefile; fi @if [ ! -e Makefile.package ]; \ then cp Makefile.package.empty Makefile.package; fi @if [ ! -e Makefile.package.settings ]; \ then cp Makefile.package.settings.empty Makefile.package.settings; fi @cp Makefile.package Makefile.package.settings $(objdir) + @cd $(objdir); rm -f .depend; \ + $(MAKE) $(MFLAGS) "SRC = $(SRC)" "INC = $(INC)" depend || : ifeq ($(mode),exe) @cd $(objdir); \ $(MAKE) $(MFLAGS) "OBJ = $(OBJ)" "INC = $(INC)" "SHFLAGS =" \ "EXE = ../$(EXE)" ../$(EXE) endif ifeq ($(mode),shexe) @cd $(objdir); \ $(MAKE) $(MFLAGS) "OBJ = $(OBJ)" "INC = $(INC)" \ "EXE = ../$(EXE)" ../$(EXE) endif ifeq ($(mode),lib) @cd $(objdir); \ $(MAKE) $(MFLAGS) "OBJ = $(OBJLIB)" "INC = $(INC)" "SHFLAGS =" \ "EXE = ../$(ARLIB)" lib @rm -f $(ARLINK) @ln -s $(ARLIB) $(ARLINK) endif ifeq ($(mode),shlib) @cd $(objdir); \ $(MAKE) $(MFLAGS) "OBJ = $(OBJLIB)" "INC = $(INC)" \ "EXE = ../$(SHLIB)" shlib @rm -f $(SHLINK) @ln -s $(SHLIB) $(SHLINK) endif # Remove machine-specific object files clean: @echo 'make clean-all delete all object files' @echo 'make clean-machine delete object files for one machine' clean-all: rm -rf Obj_* clean-%: rm -rf Obj_$(@:clean-%=%) Obj_shared_$(@:clean-%=%) # Create Makefile.list makelist: @$(SHELL) Make.sh style @$(SHELL) Make.sh Makefile.list # Make MPI STUBS library mpi-stubs: @cd STUBS; $(MAKE) clean; $(MAKE) # install LAMMPS shared lib and Python wrapper for Python usage install-python: @python ../python/install.py # Create a tarball of src dir and packages tar: @cd STUBS; $(MAKE) clean @cd ..; tar cvzf src/$(ROOT)_src.tar.gz \ src/Make* src/Package.sh src/Depend.sh \ src/MAKE src/*.cpp src/*.h src/STUBS \ $(patsubst %,src/%,$(PACKAGEUC)) $(patsubst %,src/%,$(PACKUSERUC)) \ --exclude=*/.svn @cd STUBS; $(MAKE) @echo "Created $(ROOT)_src.tar.gz" # Package management package: @echo 'Standard packages:' $(PACKAGE) @echo '' @echo 'User-contributed packages:' $(PACKUSER) @echo '' @echo 'make package list available packages' @echo 'make package-status (ps) status of all packages' @echo 'make yes-package install a single pgk in src dir' @echo 'make no-package remove a single pkg from src dir' @echo 'make yes-all install all pgks in src dir' @echo 'make no-all remove all pkgs from src dir' @echo 'make yes-standard (yes-std) install all standard pkgs' @echo 'make no-standard (no-srd) remove all standard pkgs' @echo '' @echo 'make yes-user install all user pkgs' @echo 'make no-user remove all user pkgs' @echo 'make no-lib remove all pkgs with external libs' @echo 'make package-update (pu) replace src files with package files' @echo 'make package-overwrite replace package files with src files' @echo 'make package-diff (pd) diff src files against package file' yes-all: @for p in $(PACKALL); do $(MAKE) yes-$$p; done no-all: @for p in $(PACKALL); do $(MAKE) no-$$p; done yes-standard yes-std: @for p in $(PACKAGE); do $(MAKE) yes-$$p; done no-standard no-std: @for p in $(PACKAGE); do $(MAKE) no-$$p; done yes-user: @for p in $(PACKUSER); do $(MAKE) yes-$$p; done no-user: @for p in $(PACKUSER); do $(MAKE) no-$$p; done no-lib: @for p in $(PACKLIB); do $(MAKE) no-$$p; done yes-%: @if [ ! -e Makefile.package ]; \ then cp Makefile.package.empty Makefile.package; fi @if [ ! -e Makefile.package.settings ]; \ then cp Makefile.package.settings.empty Makefile.package.settings; fi @if [ ! -e $(YESDIR) ]; then \ echo "Package $(@:yes-%=%) does not exist"; \ elif [ -e $(YESDIR)/Install.sh ]; then \ echo "Installing package $(@:yes-%=%)"; \ cd $(YESDIR); $(SHELL) Install.sh 1; cd ..; \ $(SHELL) Depend.sh $(YESDIR) 1; \ else \ echo "Installing package $(@:yes-%=%)"; \ cd $(YESDIR); $(SHELL) ../Install.sh 1; cd ..; \ $(SHELL) Depend.sh $(YESDIR) 1; \ fi; no-%: @if [ ! -e $(NODIR) ]; then \ echo "Package $(@:no-%=%) does not exist"; \ elif [ -e $(NODIR)/Install.sh ]; then \ echo "Uninstalling package $(@:no-%=%)"; \ cd $(NODIR); $(SHELL) Install.sh 0; cd ..; \ $(SHELL) Depend.sh $(NODIR) 0; \ else \ echo "Uninstalling package $(@:no-%=%)"; \ cd $(NODIR); $(SHELL) ../Install.sh 0; cd ..; \ $(SHELL) Depend.sh $(NODIR) 0; \ fi; # status = list src files that differ from package files # update = replace src files with newer package files # overwrite = overwrite package files with newer src files # diff = show differences between src and package files # purge = delete obsolete and auto-generated package files package-status ps: @for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p status; done @echo '' @for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p status; done package-update pu: @for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p update; done @echo '' @for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p update; done package-overwrite: @for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p overwrite; done @echo '' @for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p overwrite; done package-diff pd: @for p in $(PACKAGEUC); do $(SHELL) Package.sh $$p diff; done @echo '' @for p in $(PACKUSERUC); do $(SHELL) Package.sh $$p diff; done package-purge: Purge.list @echo 'Purging obsolete and auto-generated source files' @for f in `grep -v '#' Purge.list` ; \ do test -f $$f && rm $$f && echo $$f || : ; \ done