Hi everyone,
I am submitting a calculation in vasp using 24 processor but every time it is failling by giving this exact error. this error is happening irrespective of number of processor allocated for the job. can you identify what might be the issue and how to circumvent it. the system has around 253 atoms and we are using PBE functional. i have attached the INCAR, POSCAR, standard.out and the error.log file so anyone want to try can help me identify the issue. The KPOINTS i am using is gamma only so i hope thats not an issue. This is vasp 5.4.4.
vasp crashing when runnning a big system
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rajaraman
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vasp crashing when runnning a big system
Last edited by rajaraman on Mon Mar 23, 2026 10:33 am, edited 1 time in total.
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rajaraman
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Re: vasp crashing when runnning a big system
the required files are in here
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manuel_engel1
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Re: vasp crashing when runnning a big system
Hello!
Thank you for posting on the forum. I'm currently running your calculation to see if I encounter the same issue. It's possible that this is due to insufficient memory. However, it is difficult to tell without further information. In the meantime, could you please also upload the OUTCAR file of your failed calculation as well as the KPOINTS file? This will help me analyze what is wrong.
You said that you are using only the Gamma point in your KPOINTS file. In this case, it is better to run with the gamma-only version of VASP. This is faster and also saves a considerable amount of memory. It is possible that this already resolves your issue.
Last edited by manuel_engel1 on Tue Mar 24, 2026 2:39 pm, edited 1 time in total.
Reason: Removed bad formatting from my post
Reason: Removed bad formatting from my post
Manuel Engel
VASP developer