Validating VASP install
Posted: 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 (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
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