NPAR (Vasp) equivalent in CP2K

Satish Kumar satis... at gmail.com
Fri Feb 6 05:10:32 UTC 2015


Hello all

In VASP, there is tag NPAR which makes 2 cores(or processor or sth)  work 
on each band for KS solution. This decreases the computational cost of a 
calculation by a good fraction. I was wondering if there are some similar 
functioning tags that I can play around in CP2K to improve the performance. 
Thanks.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150205/655cc201/attachment.htm>


More information about the CP2K-user mailing list