I am doing some simulations using the Forcite module in Materials Studio.
As the speed of this calculation on my workstation computer is unacceptably slow, I am trying to submit my job to the Linux cluster server but facing some problems about how to submit it.
I found this instruction (https://nusit.nus.edu.sg/services/hpc/application-software/material-studio/) and generated the .xsd and Perl file that are needed to perform the calculation. But I could not figure out where is the executing script that is needed for the dynamics calculation, like the RunCASTEP.sh file for the CASTEP module.
I would be very thankful if you would give me some advice on how to solve this!
Dear Yuewen,
For performing Forcite module jobs on your workstation, you need to run the "RunMatScript.sh" bash file.
To do so, go to the folder of the installed package of materials studio. In Muduli folders, there is one folder with the name of "Scripting"
Then, you can call that command like below (based on your directory)
/home/Sim/MaterialsStudio17.1/etc/Scripting/bin/RunMatScript.sh
.
Your is the pearl code. For forcite, you need to modify it based on the instruction provided in the below website
https://nusit.nus.edu.sg/services/hpc/application-software/material-studio/
Hope it works!
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