MS快速提交作业方法

MS任务提交方法：编辑~/.bashrc文件，添加以下内容：
alias RunCASTEP.sh='/public/software/accelrys/MaterialsStudio6.0/etc/CASTEP/bin/RunCASTEP.sh'
alias RunDMol3.sh='/public/software/accelrys/MaterialsStudio6.0/etc/DMol3/bin/RunDMol3.sh'
alias RunDFTB.sh='/public/software/accelrys/MaterialsStudio6.0/etc/DFTB/bin/RunDFTB.sh'
alias RunONETEP.sh='/public/software/accelrys/MaterialsStudio6.0/etc/ONETEP/bin/RunONETEP.sh'
alias RunDFTB.sh='/public/software/accelrys/MaterialsStudio6.0/etc/DFTB/bin/RunDFTB.sh'
alias RunAmorphousCell.sh='/public/software/accelrys/MaterialsStudio6.0/etc/AmorphousCell/bin/RunAmorphousCell.sh'
alias RunDiscover.sh='/public/software/accelrys/MaterialsStudio6.0/etc/Discover/bin/RunDiscover.sh'
alias RunDPD.sh='/public/software/accelrys/MaterialsStudio6.0/etc/DPD/bin/RunDPD.sh'
alias RunEquilibria.sh='/public/software/accelrys/MaterialsStudio6.0/etc/Equilibria/bin/RunEquilibria.sh'
alias RunMatServer.sh='/public/software/accelrys/MaterialsStudio6.0/etc/MatServer/bin/RunMatServer.sh'
alias RunGULP.sh='/public/software/accelrys/MaterialsStudio6.0/etc/GULP/bin/RunGULP.sh'
alias RunKinetix.sh='/public/software/accelrys/MaterialsStudio6.0/etc/Kinetix/bin/RunKinetix.sh'
alias RunMesoDyn.sh='/public/software/accelrys/MaterialsStudio6.0/etc/MesoDyn/bin/RunMesoDyn.sh'
alias RunMesotek.sh='/public/software/accelrys/MaterialsStudio6.0/etc/Mesotek/bin/RunMesotek.sh'
alias RunQMERA.sh='/public/software/accelrys/MaterialsStudio6.0/etc/QMERA/bin/RunQMERA.sh'
alias RunQMERA.sh='/public/software/accelrys/MaterialsStudio6.0/etc/QMERA/bin/RunQMERA.sh'
alias RunVAMP.sh='/public/software/accelrys/MaterialsStudio6.0/etc/VAMP/bin/RunVAMP.sh'

 

保存退出后重新登录，使用

 

然后Run模块.sh -q pbs队列名 -np 核心数 文件名

 

就可以快速提交作业