Validating VASP install

Questions regarding compilation of VASP on various platforms.

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Posts: 1
Joined: Thu Aug 08, 2013 5:31 pm
License Nr.: 395 (i believe but can doublecheck) i dont use vasp, but i am helping Dr. Rampi Ramprasad

Validating VASP install

#1 Post by rohit » Thu Aug 08, 2013 5:44 pm

Dear VASP community, I am a Linux systems administrator assisting a professor who has purchased a license to run VASP.

I have installed VASP several times now, using Intel Fortran, MKL Library and OpenMPI, but performance is not acceptable to the software user. Unfortunately, I know very little about VASP or even how to use it.

Searching the VASP wiki, I found this page ( ... ASP_Manual) which links to "the VASP test suite and benchmarks" ( ... ating_VASP)

However the Validating VASP page at this time, has no content.

Do you have any simple advice for a systems administrator (not a VASP user) to validate VASP?

Many thanks
Last edited by rohit on Thu Aug 08, 2013 5:44 pm, edited 1 time in total.

Posts: 4
Joined: Wed Jan 02, 2013 1:05 pm
License Nr.: 5-684

Validating VASP install

#2 Post by ikir » Thu Aug 22, 2013 5:52 pm

You might want to try Peter Larsson's VASPTest collection -- it runs a few different types of job and automatically checks the results. It's by no means comprehensive, but it should at least tell you whether the key bits are working.
Last edited by ikir on Thu Aug 22, 2013 5:52 pm, edited 1 time in total.

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