problem with cp2k parallel version
stph... at gmail.com
stph... at gmail.com
Tue May 22 11:58:52 UTC 2018
Dear All
I have a problem with cp2k_popt. when I submit a job on our cluster, it
will stop writing output after 35 MD steps ( while I asked for 2000) while
the cluster server shows that the job is still running. Moreover, there is
no error message. The same job runs till the end with the serial version
cp2k_ssmp. I tried to play with the CPUs number but was not succesful.
Attached are the input files, submission scripts and the file I used in
the arch directory to compile cp2k.
Could someone help?
Regards
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