有没有谁会在linux下安装lammps 求帮忙

发布网友发布时间：2022-04-23 12:43

共1个回答

热心网友时间：2023-10-13 21:45

linux下安装lammps具体过程 os=centos5.5

Su root

jpegsrc.v8c.tar.gz
tar vxf jpegsrc.v8b.tar.gz
cd jpeg-8c
./configure --prefix=/opt/mathlib/jpeg
make
make install

安装mpich
mpich-1.2.7p1。tar.gz
tar vxf mpich-1.2.7p1。tar.gz
cd mpich-1.2.7p1
./configure --prefix=/opt/mpich-gnu

安装 fftw
fftw-2.1.5.tar.gz
tar vxf fftw-2.1.5.tar.gz
cd fftw-2.1.5
./configure --prefix=/opt/mathlib/fftw215-gnu --enable-float
make
make install

打印
hostname以得到机器名字
vi /etc/hosts.equiv
加入主机名

su username (Therefore, you can use your account to run lammps.)
tar xvzf lammps.tar.gz
cd lammps-14Jul11/src

vi MAKE/Makefile.g++

g++4 change to g++
参照上面安装的软件路径做如下更改：
MPI_INC = -DMPICH_SKIP_MPICXX -I/opt/mpich-gnu/incluse

MPI_INC = -DMPICH_SKIP_MPICXX -I/opt/mpich-gnu/include
MPI_PATH = -L/opt/mpich-gnu/lib
MPI_LIB = -lmpich -lpthread

FFT_INC = -DFFT_FFTW -I/opt/mathlib/fftw215-gnu/include
FFT_PATH = -L/opt/mathlib/fftw215-gnu/lib
FFT_LIB = -lfftw

JPG_INC = -I/opt/mathlib/jpeg/include
JPG_PATH = -L/opt/mathlib/jpeg/lib
JPG_LIB = /opt/mathlib/jpeg/lib/libjpeg.a

保存后
执行
make g++
cd ../bench
Then you can test your Lammps.追问冒昧的问一下，你会安装吗，帮一下呗

热心网友时间：2023-10-13 21:45