---
# System prepended metadata

title: Gromacs下載
tags: [Gromacs]

---

# Gromacs下載
###### tags: `Gromacs`
## 安装OpenMPI 3.1.0
[CentOS 7安装OpenMPI](https://blog.csdn.net/baidu_26646129/article/details/88425619)

./configure --enable-orterun-prefix-by-default --prefix=/home/users/industry/ai-hpc/apacsc19/scratch/gromacs/openmpi3.1.0/install

```=
wget https://download.open-mpi.org/release/open-mpi/v3.1/openmpi-3.1.0.tar.gz
tar -zxvf openmpi-3.1.0.tar.gz
cd openmpi-3.1.0/
./configure
make && make install
whereis openmpi
#openmpi: /usr/local/lib/openmpi
vim ~/.bash_profile
export PATH=$PATH:/usr/local/lib/openmpi/bin
export LD_LIBRARY_PATH=/usr/local/lib/openmpi/lib
source ~/.bash_profile
#驗證安裝
cd examples/
make
./hello_c
#Hello, world, I am 0 of 1, (Open MPI v3.1.0, package: Open MPI root@localhost.localdomain Distribution, ident: 3.1.0, repo rev: v3.1.0, May 07, 2018, 121)
