Installed by Weine Olovsson on 2015–06–23.
Build of VASP using OpenMP
While OpenMP is not built into the VASP source code at present, it is available in the intel MKL library. For discussion, see the VASP wiki.
This installation is similar to build02, with the difference that the -openmp flag was used together with
and newer intel fortran compiler, intel mpi and mkl:
module add intel/18.104.22.168 impi/5.0.3.048 mkl/11.2.3
OBS: this is a version for testing purposes, not recommended for regular calculations.
Launch by mpprun using the direct path, e.g.:
In the job script the number of threads needs to be set, for example:
See default version (build02).
|Compiler||Intel Fortran 22.214.171.124|
|Optimization||-O2 -ip -xavx|
OBS: This version is only for testing purposes, not recommended for regular calculations.