Author Topic: Inquiry regarding reconvening a run  (Read 88 times)


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Inquiry regarding reconvening a run
« on: January 26, 2023, 09:30:50 PM »
Hello everyone,
I hope you are all doing well,

I am currently working on a project related to gas separation by adsorption on MOFs using GCMC on RASPA on an HPC. I made a run of 120,000 cycles thinking that they will be enough to equilibrate, yet I found that couple of 10,000 cycles are additionally needed. After my first run was completed, I wanted to continue running the job for the additional cycles instead of repeating the entire run from the beginning. I tried the option of ContinueAfterCrash, and RestartFile but neither worked and showed the same previous output file. Are there any other possible ways to reconvene the run from where it stopped without the need to repeat it?

Your guidance is appreciated and many thanks in advance.