[CP2K-user] Cores used in geometric optimisation of Benzene
Stuti Vora
voras... at gmail.com
Thu Jun 27 09:46:25 UTC 2019
I am trying to run a geometry optimisation of Benzene, but the process is
taking too long. It took 2 hours before it was terminated because of low
number of SCF Cycles. While I corrected that, I need to know how to speed
up the process.
I have a 40 core Linux system, how do I find out how many cores are being
used in the process and how to increase that number if possible.
I have attached my input file, and I use the below command to run
cp2k.popt -i inputfile.inp -o outputfile.out
Thanks
Stuti
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