[Wien] Missing k-points in SGE job

Pawel Lesniak lesniak at ifmpan.poznan.pl
Wed Nov 18 16:50:05 CET 2009


> Dear users,
> 
> I was running parallel jobs on a supercomputer using SGE and
> WIEN2k_08 when I noticed a strange problem which causes my job to
> crash. Suppose that I'm running 84 k-points on 6 nodes, then each
> node will handle 14 k-points and so I should have six sets of k-point
> files each containing 14 k-points: case.klist_1 [k-points 1-14],
> case.klist_2 [k-points 15-28], case.klist_3 [k-points 29-42],
> case.klist_4 [k-points 43-56], case.klist_5 [k-points 57-70] and
> case.klist_6 [k-points 71-84].
> 
> However, the last k-point subset case.klist_6 always has the first
> two k-points missing from the list (instead of 71-84 in the example
> above, it is 73-84). This happen in all other parallel jobs; the last
> k-point subset always has the first two k-points in the list missing.
> I was wondering if someone with experience in SGE can help me figure
> this out.
> 
> Thank you.  

This looks like problem with tcsh.
Description:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2009-June/011679.html
And solution:
http://zeus.theochem.tuwien.ac.at/pipermail/wien/2009-June/011684.html

Pawel


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