Vasp
by
Roy Einar Dragseth
—
last modified
Nov 29, 2011 11:03 AM
The VASP code can be downloaded from http://cms.mpi.univie.ac.at/vasp/.
The benchmark should be run using VASP v5.2.
The VASP benchmark input files can be found here.
It should be run with 32 CPU-cores:
tar zxf vasp-uit.tar.gz cd vasp-uit time mpirun -n 32 /path/to/vasp
The reported time should be the walltime as measured by the time command.
UiT can also provide the VASP5.2 source code, but need a signed document stating that the source will be deleted after the benchmark process is finished. Contact hpc-staff@cc.uit.no to get the source code.
The benchmark report must include detailed runtime description about
- compiler version
- math libraries used
- system configuration
- compiler options used to build the application
- how many cores used per compute node
- All output and output files generated by the execution.
