mirror of https://github.com/lammps/lammps.git
94 lines
2.4 KiB
Makefile
94 lines
2.4 KiB
Makefile
# pgi = Portland Group compiler, pgCC, MPICH, FFTW
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SHELL = /bin/sh
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# ---------------------------------------------------------------------
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# compiler/linker settings
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# specify flags and libraries needed for your compiler
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CC = pgCC
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CCFLAGS = -fast
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DEPFLAGS = -M
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LINK = pgCC
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LINKFLAGS =
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LIB = -lstdc++
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ARCHIVE = ar
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ARFLAGS = -rc
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SIZE = size
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# ---------------------------------------------------------------------
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# LAMMPS-specific settings
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# specify settings for LAMMPS features you will use
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# LAMMPS ifdef options, see doc/Section_start.html
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LMP_INC = -DLAMMPS_GZIP
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# MPI library, can be src/STUBS dummy lib
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# INC = path for mpi.h, MPI compiler settings
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# PATH = path for MPI library
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# LIB = name of MPI library
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MPI_INC = -I/usr/local/mpich-1.2.6/pg/include
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MPI_PATH = -L/usr/local/mpich-1.2.6/pg/lib
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MPI_LIB = -lmpich
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# FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package
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# INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings
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# PATH = path for FFT library
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# LIB = name of FFT library
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FFT_INC = -DFFT_FFTW
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FFT_PATH =
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FFT_LIB = -lfftw
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# additional system libraries needed by LAMMPS package libraries
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# these settings are IGNORED if the corresponding LAMMPS package
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# (e.g. gpu, meam) is NOT included in the LAMMPS build
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# SYSLIB = names of libraries
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# SYSPATH = paths of libraries
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gpu_SYSLIB = -lcudart
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meam_SYSLIB = -lifcore -lsvml -lompstub -limf
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reax_SYSLIB = -lifcore -lsvml -lompstub -limf
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user-atc_SYSLIB = -lblas -llapack
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gpu_SYSPATH = -L/usr/local/cuda/lib64
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meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib
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reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib
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user-atc_SYSPATH =
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# ---------------------------------------------------------------------
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# build rules and dependencies
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# no need to edit this section
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include Makefile.package
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EXTRA_INC = $(LMP_INC) $(PKG_INC) $(MPI_INC) $(FFT_INC)
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EXTRA_PATH = $(PKG_PATH) $(MPI_PATH) $(FFT_PATH) $(PKG_SYSPATH)
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EXTRA_LIB = $(PKG_LIB) $(MPI_LIB) $(FFT_LIB) $(PKG_SYSLIB)
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# Link target
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$(EXE): $(OBJ)
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$(LINK) $(LINKFLAGS) $(EXTRA_PATH) $(OBJ) $(EXTRA_LIB) $(LIB) -o $(EXE)
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$(SIZE) $(EXE)
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# Library target
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lib: $(OBJ)
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$(ARCHIVE) $(ARFLAGS) $(EXE) $(OBJ)
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# Compilation rules
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%.o:%.cpp
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$(CC) $(CCFLAGS) $(EXTRA_INC) -c $<
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%.d:%.cpp
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$(CC) $(CCFLAGS) $(EXTRA_INC) $(DEPFLAGS) $< > $@
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# Individual dependencies
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DEPENDS = $(OBJ:.o=.d)
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include $(DEPENDS)
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