Change number of cores per replica in restart file for BAND calculation
jingyu... at gmail.com
Fri Dec 16 20:26:14 CET 2016
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?
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