diff --git a/src/MAKE/Makefile.altix b/src/MAKE/Makefile.altix index 59f8ca70a..fba2e3a64 100644 --- a/src/MAKE/Makefile.altix +++ b/src/MAKE/Makefile.altix @@ -1,93 +1,93 @@ # altix = SGI Altix, Intel icc, MPI, FFTs from SGI SCSL library SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = MPI_PATH = MPI_LIB = -lmpi # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_SCSL FFT_PATH = FFT_LIB = # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = icc -CCFLAGS = -O2 $(EXTRA_INC) +CCFLAGS = -O2 DEPFLAGS = -M LINK = icc -LINKFLAGS = -O2 $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lstdc++ +LINKFLAGS = -O2 +LIB = -lstdc++ ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.bgl b/src/MAKE/Makefile.bgl index 8332e33bf..31d77a0f3 100644 --- a/src/MAKE/Makefile.bgl +++ b/src/MAKE/Makefile.bgl @@ -1,100 +1,99 @@ # bgl = LLNL Blue Gene Light machine, xlC, native MPI, FFTW SHELL = /bin/sh .SUFFIXES: .cpp .u # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = -MPI_LIB = +MPI_LIB = -lmpich.rts # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW FFT_PATH = FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = /opt/ibmcmp/vacpp/7.0/bin/blrts_xlC -CCFLAGS = -O3 $(EXTRA_INC) +CCFLAGS = -O3 DEPFLAGS = -M LINK = /opt/ibmcmp/vacpp/7.0/bin/blrts_xlC -LINKFLAGS = -O $(EXTRA_PATH) \ +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 = $(EXTRA_LIB) \ - -lxlopt -lxlomp_ser -lxl -lxlfmath -lm \ - -lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts -lmassv +LIB = -lxlopt -lxlomp_ser -lxl -lxlfmath -lm \ + -lmsglayer.rts -lrts.rts -ldevices.rts -lmassv ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.cygwin b/src/MAKE/Makefile.cygwin index 056f6e297..780afc5a8 100644 --- a/src/MAKE/Makefile.cygwin +++ b/src/MAKE/Makefile.cygwin @@ -1,93 +1,93 @@ # cygwin = Windows Cygwin, mpicxx, MPICH, FFTW SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = -L/cygdrive/c/cygwin/mpich2-1.0.4p1/lib MPI_LIB = -lmpich # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I/cygdrive/c/cygwin/fftw/include FFT_PATH = -L/cygdrive/c/cygwin/fftw/lib FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpicxx -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = mpicxx -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.encanto b/src/MAKE/Makefile.encanto index 79386043d..8a94a535a 100644 --- a/src/MAKE/Makefile.encanto +++ b/src/MAKE/Makefile.encanto @@ -1,93 +1,93 @@ # encanto = NM cluster with dual quad-core Xeons, mpicxx, native MPI, FFTW SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = -lmpich -lpthread # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I/home/jlane/fftw-2.1.5/fftw FFT_PATH = -L/home/jlane/fftw-2.1.5/fftw/.libs FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpicxx -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = mpicxx -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lstdc++ +LINKFLAGS = -O +LIB = -lstdc++ ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.fink b/src/MAKE/Makefile.fink index 50df8b173..741a6d614 100644 --- a/src/MAKE/Makefile.fink +++ b/src/MAKE/Makefile.fink @@ -1,96 +1,93 @@ # fink = Mac OS-X w/ fink libraries, c++, no MPI, FFTW 2.1.5 SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I/sw/include FFT_PATH = -L/sw/lib FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = c++ -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = c++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lstdc++ +LINKFLAGS = -O +LIB = -lstdc++ ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) - - - diff --git a/src/MAKE/Makefile.g++ b/src/MAKE/Makefile.g++ index f55d5f3fd..dba0c6a41 100755 --- a/src/MAKE/Makefile.g++ +++ b/src/MAKE/Makefile.g++ @@ -1,94 +1,93 @@ # g++ = RedHat Linux box, g++, MPICH2, FFTW SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings -# edit as needed for your machine +# specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = -lmpich -lpthread -# FFT library, can be -DFFT_NONE if not using PPPM from kspace package +# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW FFT_PATH = FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings -# generally no need to edit this section -# unless additional compiler/linker flags or libraries needed for your machine - -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) +# specify flags and libraries needed for your compiler CC = g++ -CCFLAGS = -g -O $(EXTRA_INC) +CCFLAGS = -g -O DEPFLAGS = -M LINK = g++ -LINKFLAGS = -g -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -g -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.glory b/src/MAKE/Makefile.glory index 0de030e1f..8f3091b2b 100644 --- a/src/MAKE/Makefile.glory +++ b/src/MAKE/Makefile.glory @@ -1,110 +1,110 @@ # glory = Linux cluster with 4-way quad cores, Intel mpicxx, native MPI, FFTW SHELL = /bin/sh .IGNORE: # this Makefile builds LAMMPS for mvapich running on Glory # to invoke this Makefile, you need these modules loaded: # compilers/intel-10.1-f015-c015 # misc/env-mvapich # mpi/mvapich-1.0.1_ofed_intel-10.1-f015-c015 # libraries/fftw-2.1.5_openmpi-1.2.7_ofed_intel-10.1-f015-c015 # you can determine which modules are loaded by typing: # module list # these modules are not the default ones, but can be enabled by # lines like this in your .cshrc or other start-up shell file # or by typing them before you build LAMMPS: # module swap mpi mpi/mvapich-1.0.1_ofed_intel-10.1-f015-c015 # module load libraries/fftw-2.1.5_openmpi-1.2.7_ofed_intel-10.1-f015-c015 # these same modules need to be loaded to submit a LAMMPS job, # either interactively or via a batch script # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = MPI_PATH = MPI_LIB = # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I${FFTW_INCLUDE} FFT_PATH = -L${FFTW_LIB} FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpicxx -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = mpicxx -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lstdc++ -lm +LINKFLAGS = -O +LIB = -lstdc++ -lm ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.linux b/src/MAKE/Makefile.linux index 14be218a1..dfe8ef515 100755 --- a/src/MAKE/Makefile.linux +++ b/src/MAKE/Makefile.linux @@ -1,93 +1,93 @@ # linux = RedHat Linux box, Intel icc, MPICH2, FFTW SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = -lmpich -lpthread # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW FFT_PATH = FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = icc -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = icc -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lstdc++ +LINKFLAGS = -O +LIB = -lstdc++ ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.mac b/src/MAKE/Makefile.mac index 5a104ab5c..8634aef50 100755 --- a/src/MAKE/Makefile.mac +++ b/src/MAKE/Makefile.mac @@ -1,93 +1,93 @@ # mac = Apple PowerBook G4 laptop, c++, no MPI, FFTW 2.1.5 SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW FFT_PATH = FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = c++ -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = c++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.mac_mpi b/src/MAKE/Makefile.mac_mpi index fd4422e2c..6a286e219 100755 --- a/src/MAKE/Makefile.mac_mpi +++ b/src/MAKE/Makefile.mac_mpi @@ -1,96 +1,96 @@ # mac_mpi = Apple PowerBook G4 laptop, mpic++, fink LAM/MPI, fink FFTW 2.1.5 SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # edit as needed for your machine # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DOMPI_SKIP_MPICXX MPI_PATH = MPI_LIB = # FFT library, can be -DFFT_NONE if not using PPPM from kspace package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFTW = /sw FFT_INC = -DFFT_FFTW -I${FFTW}/include FFT_PATH = -L${FFTW}/lib FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # generally no need to edit this section # unless additional compiler/linker flags or libraries needed for your machine -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpic++ -CCFLAGS = -O -MMD -MG $(EXTRA_INC) +CCFLAGS = -O -MMD -MG DEPFLAGS = -M LINK = mpic++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.odin b/src/MAKE/Makefile.odin index b3a44478e..2f3d3a38b 100755 --- a/src/MAKE/Makefile.odin +++ b/src/MAKE/Makefile.odin @@ -1,93 +1,93 @@ # odin = 1400 cluster, g++, MPICH, no FFTs SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I/opt/mpich-mx/include MPI_PATH = -L/opt/mpich-mx/lib -L/opt/mx/lib MPI_LIB = -lmpich -lmyriexpress # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_NONE FFT_PATH = FFT_LIB = # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = g++ -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = G++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.openmpi b/src/MAKE/Makefile.openmpi index 511952055..885924e94 100644 --- a/src/MAKE/Makefile.openmpi +++ b/src/MAKE/Makefile.openmpi @@ -1,94 +1,94 @@ # openmpi = Fedora Core 6, mpic++, OpenMPI-1.1, FFTW2 SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = MPI_PATH = MPI_LIB = # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW FFT_PATH = FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpic++ -CCFLAGS = -O2 $(EXTRA_INC) \ +CCFLAGS = -O2 \ -funroll-loops -fstrict-aliasing -Wall -W -Wno-uninitialized DEPFLAGS = -M LINK = mpic++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lstdc++ +LINKFLAGS = -O +LIB = -lstdc++ ARCHIVE = ar ARFLAGS = -rcsv SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.power5 b/src/MAKE/Makefile.power5 index 9e17e7dfe..132c4c113 100644 --- a/src/MAKE/Makefile.power5 +++ b/src/MAKE/Makefile.power5 @@ -1,94 +1,94 @@ # power5 = IBM Power5+, mpCC_r, native MPI, FFTW SHELL = /bin/sh .SUFFIXES: .cpp .u # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = MPI_PATH = MPI_LIB = # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I/scr/oppe/LAMMPS/fftw-2.1.5/include FFT_PATH = -L/scr/oppe/LAMMPS/fftw-2.1.5/lib FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpCC_r -CCFLAGS = -O3 -qnoipa -qlanglvl=oldmath $(EXTRA_INC) +CCFLAGS = -O3 -qnoipa -qlanglvl=oldmath DEPFLAGS = -M LINK = mpCC_r -LINKFLAGS = -O -qnoipa -qlanglvl=oldmath -bmaxdata:0x70000000 $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lm +LINKFLAGS = -O -qnoipa -qlanglvl=oldmath -bmaxdata:0x70000000 +LIB = -lm ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.qed b/src/MAKE/Makefile.qed index 40003da30..a6af6b2b9 100644 --- a/src/MAKE/Makefile.qed +++ b/src/MAKE/Makefile.qed @@ -1,93 +1,93 @@ # qed = CSRI cluster, mpiCC, MPICH, no FFTs SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I/usr/local/mpich-1.2.6-eth/include MPI_PATH = -L/usr/local/mpich-1.2.6-eth/lib MPI_LIB = -lmpich # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_NONE FFT_PATH = FFT_LIB = # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpiCC -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = mpiCC -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.sdsc b/src/MAKE/Makefile.sdsc index e49638437..82e453a5d 100644 --- a/src/MAKE/Makefile.sdsc +++ b/src/MAKE/Makefile.sdsc @@ -1,98 +1,98 @@ # sdsc = SDSC BG/L machine, xlC, native MPI, FFTW SHELL = /bin/sh .SUFFIXES: .cpp .u # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP -DLAMMPS_XDR # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = -lmpich.rts -lmsglayer.rts -lrts.rts -ldevices.rts # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I//usr/local/apps/V1R3/fftw-2.1.5d/include FFT_PATH = -L/usr/local/apps/V1R3/fftw-2.1.5d/lib FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = blrts_xlC -CCFLAGS = -I/bgl/BlueLight/ppcfloor/bglsys/include $(EXTRA_INC) \ +CCFLAGS = -I/bgl/BlueLight/ppcfloor/bglsys/include \ -O2 -qarch=440 -qtune=440 DEPFLAGS = -M -qmakedep=gcc LINK = blrts_xlC -LINKFLAGS = -O $(EXTRA_PATH) \ +LINKFLAGS = -O \ -L/bgl/BlueLight/ppcfloor/bglsys/lib \ -L/opt/ibmcmp/xlf/bg/10.1/blrts_lib \ -L/opt/ibmcmp/vacpp/bg/8.0/blrts_lib -LIB = $(EXTRA_LIB) -lm +LIB = -lm ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.seaborg b/src/MAKE/Makefile.seaborg index ab82f27aa..d2fff25ea 100644 --- a/src/MAKE/Makefile.seaborg +++ b/src/MAKE/Makefile.seaborg @@ -1,94 +1,94 @@ # seaborg = NERSC IBM machine, mpCC, native MPI, FFTW SHELL = /bin/sh .SUFFIXES: .cpp .u # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = -lmpich -lpthread # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I/usr/common/usg/fftw/2.1.5/include FFT_PATH = -L/usr/common/usg/fftw/2.1.5/lib FFT_LIB = -lfftw -lfftw_mpi # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpCC_r -CCFLAGS = -O2 -qnoipa $(EXTRA_INC) +CCFLAGS = -O2 -qnoipa DEPFLAGS = -M LINK = mpCC_r -LINKFLAGS = -O -L/usr/lib $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lm +LINKFLAGS = -O -L/usr/lib +LIB = -lm ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.serial b/src/MAKE/Makefile.serial index 22a5ee35b..3a10f6ac9 100755 --- a/src/MAKE/Makefile.serial +++ b/src/MAKE/Makefile.serial @@ -1,94 +1,94 @@ # serial = RedHat Linux box, g++, no MPI, no FFTs SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # edit as needed for your machine # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi # FFT library, can be -DFFT_NONE if not using PPPM from kspace package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_NONE FFT_PATH = FFT_LIB = # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # generally no need to edit this section # unless additional compiler/linker flags or libraries needed for your machine -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = g++ -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = g++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.serial_debug b/src/MAKE/Makefile.serial_debug index ef2cdb876..29911ba0b 100644 --- a/src/MAKE/Makefile.serial_debug +++ b/src/MAKE/Makefile.serial_debug @@ -1,93 +1,93 @@ # serial_debug = RedHat Linux box, g++, no MPI, no FFTs SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_NONE FFT_PATH = FFT_LIB = # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = g++ -CCFLAGS = -O -Wall -W -O2 -funroll-loops -fstrict-aliasing $(EXTRA_INC) +CCFLAGS = -O -Wall -W -O2 -funroll-loops -fstrict-aliasing DEPFLAGS = -M LINK = g++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rcsv SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.solaris b/src/MAKE/Makefile.solaris index 0f84d2de9..d2db28f4e 100644 --- a/src/MAKE/Makefile.solaris +++ b/src/MAKE/Makefile.solaris @@ -1,93 +1,93 @@ # solaris = Sun box, c++, no MPI, no FFTs SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_NONE FFT_PATH = FFT_LIB = # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = c++ -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = c++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.spirit b/src/MAKE/Makefile.spirit index 6e34c2719..1252be04c 100644 --- a/src/MAKE/Makefile.spirit +++ b/src/MAKE/Makefile.spirit @@ -1,101 +1,101 @@ # spirit = HP cluster 64-bit, mpicxx, native MPI, FFTW SHELL = /bin/sh # users may wish to add the following lines to their .bashrc or equivalent: # if [ "$SNLCLUSTER" = "spirit" ]; then # source /opt/modules/default/init/bash # module load libraries/fftw-2.1.5_openmpi-1.2.2_mx_intel-9.1-f040-c045 # fi; # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = MPI_PATH = MPI_LIB = # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFTW = /apps/x86_64/libraries/fftw/openmpi-1.2.2_mx_intel-9.1-f040-c045/fftw-2.1.5 FFT_INC = -DFFT_FFTW -I$(FFTW)/include FFT_PATH = -L$(FFTW)/lib FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpicxx -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = mpicxx -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lm +LINKFLAGS = -O +LIB = -lm ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.storm b/src/MAKE/Makefile.storm index 81e38aa81..3c6e708d5 100644 --- a/src/MAKE/Makefile.storm +++ b/src/MAKE/Makefile.storm @@ -1,91 +1,91 @@ # storm = Cray Red Storm XT3, Cray CC, native MPI, FFTW SHELL = /bin/sh .SUFFIXES: .cpp .d # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I/projects/fftw/fftw-2.1.5/include FFT_PATH = FFT_LIB = -lfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = CC -CCFLAGS = -fastsse $(EXTRA_INC) +CCFLAGS = -fastsse DEPFLAGS = -M LINK = CC -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lstdc++ +LINKFLAGS = -O +LIB = -lstdc++ ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules .cpp.o: - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< # Individual dependencies $(OBJ): $(INC) diff --git a/src/MAKE/Makefile.tacc b/src/MAKE/Makefile.tacc index 000681301..ab2f549f0 100644 --- a/src/MAKE/Makefile.tacc +++ b/src/MAKE/Makefile.tacc @@ -1,96 +1,96 @@ # tacc = UT Lonestar TACC machine, mpiCC, MPI, FFTW SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = -lmpich -lpthread # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library 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 # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore reax_SYSLIB = -lifcore user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/apps/intel/10.1/fc/lib reax_SYSPATH = -L/opt/apps/intel/10.1/fc/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpiCC -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = mpiCC -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) +LINKFLAGS = -O +LIB = ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.tbird b/src/MAKE/Makefile.tbird index 1037d16f2..715c631c0 100644 --- a/src/MAKE/Makefile.tbird +++ b/src/MAKE/Makefile.tbird @@ -1,112 +1,112 @@ # tbird = Dell cluster with Xeons, Intel mpicxx, native MPI, FFTW SHELL = /bin/sh # this Makefile builds LAMMPS for openMPI running on Tbird # as of April 09, you want these modules loaded, which are not the default: # mpi/openmpi-1.2.8_intel-11.0-f074-c074 # misc/env-openmpi-1.2 # compilers/intel-11.0-f074-c074 # libraries/intel-mkl # libraries/intel_fftw-10.0.4.023 # libraries/intel-mkl-11.0.074 # you can determine which modules are loaded by typing: # module list # you can load these modules by putting # these lines in your .cshrc or other start-up shell file # or by typing them before you build LAMMPS: # module switch mpi mpi/openmpi-1.2.8_intel-11.0-f074-c074 # module load libraries/intel_fftw-10.0.4.023 # module load libraries/intel-mkl-11.0.074 # these same modules need to be loaded to submit a LAMMPS job, # either interactively or via a batch script # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = -lmpich -lpthread # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I$(FFTW_INCLUDE) FFT_PATH = FFT_LIB = $(BLASLIB) $(FFTW_LINK_LINE) # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = mpicxx -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = mpicxx -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lstdc++ -lm +LINKFLAGS = -O +LIB = -lstdc++ -lm ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.tesla b/src/MAKE/Makefile.tesla index 3c8e8f52c..73e09091a 100755 --- a/src/MAKE/Makefile.tesla +++ b/src/MAKE/Makefile.tesla @@ -1,93 +1,93 @@ # tesla = 16-proc SGI Onyx3, g++, no MPI, SGI FFTs SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -I../STUBS MPI_PATH = -L../STUBS MPI_LIB = -lmpi # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_SGI FFT_PATH = FFT_LIB = -lcomplib.sgimath # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = g++ -CCFLAGS = -O $(EXTRA_INC) +CCFLAGS = -O DEPFLAGS = -M LINK = g++ -LINKFLAGS = -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lm -lcomplib.sgimath +LINKFLAGS = -O +LIB = -lm -lcomplib.sgimath ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS) diff --git a/src/MAKE/Makefile.xt3 b/src/MAKE/Makefile.xt3 index e34448164..0ea015531 100644 --- a/src/MAKE/Makefile.xt3 +++ b/src/MAKE/Makefile.xt3 @@ -1,95 +1,95 @@ # xt3 = PSC BigBen Cray XT3, CC, native MPI, FFTW SHELL = /bin/sh # --------------------------------------------------------------------- # system-specific settings # specify settings for LAMMPS features you will use # LAMMPS ifdef options, see doc/Section_start.html LMP_INC = -DLAMMPS_GZIP -DLAMMPS_XDR # MPI library, can be src/STUBS dummy lib # INC = path for mpi.h, MPI compiler settings # PATH = path for MPI library # LIB = name of MPI library MPI_INC = -DMPICH_IGNORE_CXX_SEEK MPI_PATH = MPI_LIB = -lmpich -lpthread # FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package # INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings # PATH = path for FFT library # LIB = name of FFT library FFT_INC = -DFFT_FFTW -I$(FFTW_INC) FFT_PATH = -L$(FFTW_LIB) FFT_LIB = -ldfftw # additional system libraries needed by LAMMPS package libraries # these settings are IGNORED if the corresponding LAMMPS package # (e.g. gpu, meam) is NOT included in the LAMMPS build # SYSLIB = names of libraries # SYSPATH = paths of libraries gpu_SYSLIB = -lcudart meam_SYSLIB = -lifcore -lsvml -lompstub -limf reax_SYSLIB = -lifcore -lsvml -lompstub -limf user-atc_SYSLIB = -lblas -llapack gpu_SYSPATH = -L/usr/local/cuda/lib64 meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib user-atc_SYSPATH = # --------------------------------------------------------------------- # compiler/linker settings # specify flags and libraries needed for your compiler -include Makefile.package - -EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) -EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) -EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) - CC = CC CCFLAGS = -O3 --target=catamount \ CCFLAGS = -fomit-frame-pointer -finline-functions \ - -Wall -Wno-unused -funroll-all-loops $(EXTRA_INC) + -Wall -Wno-unused -funroll-all-loops DEPFLAGS = -M LINK = CC -LINKFLAGS = --target=catamount -O $(EXTRA_PATH) -LIB = $(EXTRA_LIB) -lgmalloc +LINKFLAGS = --target=catamount -O +LIB = -lgmalloc ARCHIVE = ar ARFLAGS = -rc SIZE = size # --------------------------------------------------------------------- # build rules and dependencies # no need to edit this section +include Makefile.package + +EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC) +EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH) +EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB) + # Link target $(EXE): $(OBJ) - $(LINK) $(LINKFLAGS) $(OBJ) $(LIB) -o $(EXE) + $(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE) $(SIZE) $(EXE) # Library target lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ) # Compilation rules %.o:%.cpp - $(CC) $(CCFLAGS) -c $< + $(CC) $(CCFLAGS) $(EXTRA_INC) -c $< %.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@ # Individual dependencies DEPENDS = $(OBJ:.o=.d) include $(DEPENDS)