GPU job complete but still running in the server

questions related to VASP with GPU support (vasp.5.4.1, version released in Feb 2016)

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cuikun_lin
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GPU job complete but still running in the server

#1 Post by cuikun_lin » Thu Mar 18, 2021 10:40 pm

I am doing some benchmark tests for the newly built of gpu version of vasp 6.2 using a system with 750 atoms. The vasp out was complete and "reached required accuracy - stopping structural energy minimization. " However, the executive files were still running in the server until the time run out as I ssh into the running node. When running small systems below 500, it runs beautifully and has no problem.
Any suggestions would be greatly appreciated to help solve the problem.

The OpenACC GPU port of VASP was compiled using makefile.include.linux_pgi_acc from the vasp wiki website. The compile process works very well.

Please advise. Thanks very much.

merzuk.kaltak
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Re: GPU job complete but still running in the server

#2 Post by merzuk.kaltak » Thu Mar 25, 2021 10:29 am

Hello,

please upload the corresponding input files and file a bug report as written in the forum posting guidelines.

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