Dear ALL:
I finally figured out how to build lammps. But I’ve a problem when I tried to include some packages.
First, I’ve already built packages of meam, poems and reax.
second, I build lammps with the default SYSPATH for meam and reax:
meam_SYSPATH = -L/opt/intel/fce/10.0.023/lib
reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib
It worked. But I thought the PATH may not be correct. Then I modified the SYSPATH for meam and reax in the Makefile into:
meam_SYSPATH = -L/home/lyang/lammps-20Feb10/lib/meam
reax_SYSPATH = -L/home/lyang/lammps-20Feb10/lib/reax
Then build lammps. It worked again. So I’m wondering why?
Third, I build atc. Then install it into package. I modified the path for ATC:
user-atc_SYSPATH = -L/home/lyang/lammps-20Feb10/lib/atc
However, this time, it does not work. It failed. Then I tried to use the default path which is blank. It still failed. So dose anyone know how to build lammps with atc and how should I type the right SYSPATH for meam, reax and atc.
The following is the Makefile:
lewis = RedHat Linux box, mpiCC, FFTW
SHELL = /bin/sh
---------------------------------------------------------------------
compiler/linker settings
specify flags and libraries needed for your compiler
CC = mpiCC
CCFLAGS = -O -I /home/lyang/fftw2.1.5/include
DEPFLAGS = -M
LINK = mpiCC
LINKFLAGS = -O -L /home/lyang/fftw2.1.5/lib
LIB = -lstdc++ -lfftw
ARCHIVE = ar
ARFLAGS = -rc
SIZE = size
---------------------------------------------------------------------
LAMMPS-specific settings
specify settings for LAMMPS features you will use
LAMMPS ifdef options, see doc/Section_start.html
LMP_INC = -DLAMMPS_GZIP
MPI library, can be src/STUBS dummy lib
INC = path for mpi.h, MPI compiler settings
PATH = path for MPI library
LIB = name of MPI library
MPI_INC =
MPI_PATH =
MPI_LIB =
FFT library, can be -DFFT_NONE if not using PPPM from KSPACE package
INC = -DFFT_FFTW, -DFFT_INTEL, -DFFT_NONE, etc, FFT compiler settings
PATH = path for FFT library
LIB = name of FFT library
FFT_INC = -DFFT_FFTW
FFT_PATH = -I /home/lyang/fftw2.1.5/include
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/home/lyang/lammps-20Feb10/lib/meam
reax_SYSPATH = -L/home/lyang/lammps-20Feb10/lib/reax
user-atc_SYSPATH =
---------------------------------------------------------------------
build rules and dependencies
no need to edit this section
include Makefile.package
EXTRA_INC = (LMP_INC) (PKG_INC) (MPI_INC) (FFT_INC)
EXTRA_PATH = (PKG_PATH) (MPI_PATH) (FFT_PATH) (PKG_SYSPATH)
EXTRA_LIB = (PKG_LIB) (MPI_LIB) (FFT_LIB) (PKG_SYSLIB)
Link target
(EXE): (OBJ)
(LINK) (LINKFLAGS) (EXTRA_PATH) (OBJ) (EXTRA_LIB) (LIB) -o (EXE)
(SIZE) $(EXE)
Library target
lib: (OBJ) (ARCHIVE) (ARFLAGS) (EXE) $(OBJ)
Compilation rules
.o:.cpp
(CC) (CCFLAGS) (EXTRA_INC) -c <
.d:.cpp
(CC) (CCFLAGS) (EXTRA_INC) (DEPFLAGS) < > @
Individual dependencies
DEPENDS = (OBJ:.o=.d) include (DEPENDS)