Dear all,
I am running wien2k 11.1 on a cluster with Centos 6 under a pbs queuing
system. The job is submitted in a k-point parallel mode and the total 36
kpoints are divided by 16 cups. But there comes some errors in lapw2 and
the dnlapw2_18/19/20.error files are not empty. At the same time, the
Clearly you should write your job script such that it divides the 36 k-points
in a
meaningful way.
In principle you can use 36,18,9,6,4,or 3 parallel jobs, but 16 us not
meaningful.
Furthermore, it seems that your cluster has problems with heavy I/O (NFS) and
this is
most likely the reason
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