Hi
I’m tring install lammps with g++ and openmpi
this is my makefile
compiler/linker settings
specify flags and libraries needed for your compiler
CC = g++
CCFLAGS = -g -O3
SHFLAGS = -fPIC
DEPFLAGS = -M
LINK = g++
LINKFLAGS = -g -O3
LIB =
SIZE = size
ARCHIVE = ar
ARFLAGS = -rc
SHLIBFLAGS = -shared
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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_MEMALIGN=64
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/openmpi-1.6.3/include -pthread
MPI_PATH = -L/opt/openmpi-1.6.3/include/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 = -I/usr/local/fftw-3.3.6-pl2/include -DFFT_FFTW3
FFT_PATH = -L/usr/local/fftw-3.3.6-pl2/lib
FFT_LIB = -lfftw3f