Problem with VASP calculation within USPEX routine

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Nikita Matsokin

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Aug 4, 2025, 8:43:42 AMAug 4
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Dear Administration, 

I have an important question about working with the USPEX program (10.5 MATLAB version). I am trying to run it on a cluster in conjunction with VASP, USPEX itself as a program works, generation and other algorithms, everything is fine. In a separate file submitJob_local.py I specify a separate sbatch script for VASP. If I run the same in the directory, it will be calculated, everything is fine (that is, the VASP script is ok when run separately). But if it is generated by the USPEX submitJob_local.py script, the VASP task arises, but it seems that the calculation command itself is ignored, and therefore there is no process output and iterations output. For this, I even specifically wrote the part if not commandExecutable or not commandExecutable.strip() when creating the VASP launch:
commandExecutable = 'vasp -s std'

to be sure, but there is still no calculation. Could you please tell me what can be done? It does not give any errors, the Success task just falls. I would be grateful for help.
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