4,816
edits
Changes
VASP
,no edit summary
; Access: While VASP is not available to the general ACEnet community we have an agreement with VASP to allow it to be run on our systems and for us to have a standardized copy available to those with their own licenses. If you have your own VASP license please [[Ask Support | contact support]] via email (and also send a copy of your request to [[Stephen Condran]]). We will contact VASP to verify your status. You will then be added to the vasp4 and/or vasp5 software group depending on what version(s) you are licensed for.
; How to run VASPUsage
: Different version of VASP are compiled with different compilers and require specific modulefiles to be loaded before run. Users are encouraged to try to load a VASP modulefile interactively before submitting jobs in order to determine which other modulefiles it depends upon. For example
$ module load vasp/5.2.11
<pre>
#$ -cwd
#$ -j y#$ -l h_vmem=1G,#$ -l h_rt=101:000:000
module purge
module load intel openmpi/intel vasp/5.2.12
mpirun vasp
</pre>