文档介绍：一 lamps非并行安装
1 在终端输入：
cd /mnt
（ (cp /home/lab/Desktop/ /mnt)）
gunzip lampsrial (按下i可修改)
# g++ = RedHat Linux box, g++4, gfortran, MPICH2, FFTW
SHELL = /bin/sh
# ---------------------------------------------------------------------
# compiler/linker settings
# specify flags and libraries needed for your compiler
CC =        g++4 g++4改为mpic++
CCFLAGS =    -g -O
DEPFLAGS =    -M
LINK =        g++4 g++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 compiler settings
# PATH = path for MPI library
# LIB = name of MPI library
MPI_INC =      -I/opt/mpich/include -DMPICH_SKIP_MPICXX
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 compiler settings
# PATH = path for FFT library
# LIB = name of FFT library
FFT_INC =      
-I/opt/fftw/include -DFFT_FFTW
FFT_PATH = -I/opt/ff