Validating VASP install

[rohit]

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 (http://cms.mpi.univie.ac.at/wiki/index. ... ASP_Manual) which links to "the VASP test suite and benchmarks" (http://cms.mpi.univie.ac.at/wiki/index. ... 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
Rohit

[ikir]

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.

http://www.nsc.liu.se/~pla/vasptest/