Change number of cores per replica in restart file for BAND calculation

J. Ye jingyu... at gmail.com
Fri Dec 16 20:26:14 CET 2016


Hi all, 

I am running some NEB calculation using CP2K. It failed because the job run 
out of wall time. I restart the calculation using the restart file. I also 
change the number of cores for each replica in restart file ( NPROC_REP 
 72--> 48). However, it turns out the restart calculation still use the old 
value of NPROC_REP 72. 

What's the reason? 

Thanks!

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20161216/68618d4f/attachment.html>


More information about the CP2K-user mailing list