poor performance on i9

Questions regarding the compilation of VASP on various platforms: hardware, compilers and libraries, etc.

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bratinag
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poor performance on i9

#1 Post by bratinag » Thu Oct 27, 2022 6:47 am

Hi,
we've just installed a new desktop with 12th Gen Intel(R) Core(TM) i9-12900F, 32G RAM, 1T SSD, Ubuntu 22.04 with the latest updates. VASP 6.3.2 compilation following the procedure given in "Building VASP 6.3.X on Ubuntu 22.04" went without any issues.

"make test" however, didn't finish after 20 hours. A simple lattice parameter relaxation calculation that takes about a minute on a similar machine equipped with AMD Ryzen 9 5950X 16-Core Processor, takes here more than one hour.

Could you please suggest where I should start troubleshooting, since I believe it must be a software issue.

Regards.

Gvido

bratinag
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Re: poor performance on i9

#2 Post by bratinag » Thu Oct 27, 2022 1:23 pm

Well, this was trivial. I forgot to set OMP_NUM_THREADS=1. Now it works as expected.

Regards.

Gvido

jonathan_lahnsteiner2
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Re: poor performance on i9

#3 Post by jonathan_lahnsteiner2 » Fri Oct 28, 2022 9:41 am

Dear Gvido,

Thank you for the information.

All the best Jonathan

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