参考的各种文档似乎非常详细,但是安装过程中各种坑自然不必多说,不再赘述。
安装gnu完全开源的版本的vasp,仅供测试,若有疑问欢迎交流。
一、安装环境:
OS版本:CentOS 7.9
软件包存放目录:/home/share/
软件安装位置:/home/software/
二、安装文件共享,再windows上直接复制文件到安装目录
yum -y install samba
mkdir /home/share
chmod 777 /home/share/
echo "[global]
log file = /var/log/samba/log.%m
max log size = 50
security = user
map to guest = Bad User
[share]
path=/home/share
readonly=yes
browseable=yes
writable = yes
guest ok=yes" > /etc/samba/smb.conf
systemctl start smb
systemctl enable smb
firewall-cmd --add-port=137/udp --permanent
firewall-cmd --add-port=138/udp --permanent
firewall-cmd --add-port=139/tcp --permanent
firewall-cmd --add-port=445/tcp --permanent
firewall-cmd --add-port=389/tcp --permanent
firewall-cmd --reload
二、安装环境变量切换模块
yum -y install environment-modules
mkdir -p /home/software/modules
echo 'export MODULEPATH=/home/software/modules/' >> /etc/profile.d/modules.sh
source /etc/profile
三、安装make4.3
yum -y install gcc gcc-c++ make autoconf m4 automake libtool
cd /home/share/
tar -zxf make-4.3.tar.gz
rm -f make-4.3.tar.gz
cd make-4.3
./configure --prefix=/home/software/make
make && make install
echo '#%Module1.0
set MAKE /home/software/ma