文档介绍：-
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一 lamps非并行安装
1 在终端输入：
cd /mnt
（ (cp /home/lab/Desktop/lammpb/rea*
ls
make –f
()
cd /mnt/lmp/src/MAKE
vi (按下i可修改)
-
. z.
* g++ = RedHat Linu* bo*, g++4, gfortran, MPICH2, FFTW
SHELL = /bin/sh
* ---------------------------------------------------------------------
* piler/linker settings
* specify flags and libraries needed for your piler
CC =        g++4 g++4改为mpic++
CCFLAGS =    -g -O
DEPFLAGS =    -M
LINK =        g++4g++4改为mpic++
LINKFLAGS =    -g -O
LIB =          
ARCHIVE =    ar
ARFLAGS =    -rc
SIZE =        size
* ---------------------------------------------------------------------
* LAMMPS-specific settings
* specify settings for LAMMPS features you will use
* LAMMPS ifdef options, see doc/
LMP_INC =    -DLAMMPS_GZIP
* MPI library, can be src/STUBS dummy lib
* INC = path for , MPI piler settings
* PATH = path for MPI library
* LIB = name of MPI library
MPI_INC =      -I/opt/mpich/include -DMPICH_SKIP_MPIC**
MPI_PATH = -I/opt/mpich/lib
MPI_LIB =    /opt/mpich/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 piler settings
* PATH = path for