gt;
>
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* ?*
Dept of Chemistry,
Pohang Univ of Sci & Tech
Pohang, Republic of Korea
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Usually, you just resubmit your job. Ideally, you can add-NI to the
run_lapw runsp_lapw line.
Only in the exceptional cases, where the computer crashed in mixer either
during writing of case.clmsum
or writing case.broyd*, one would need to cp case.clmsum_old case.clmsum
(and do n
I am benchmarking some new nodes (Intel(R) Xeon(R) CPU E5-2660 0 @
2.20GHz) using the standard mpi Wien2k benchmark, and would be
interested in comments/comparisons -- the online mpi benchmark seems
to be a bit outdated. Hyperthreading is turned on (currently not under
my control), and the IB is no
Dear Wien2k developers,
v12 of Wien2k has a "severe bug fix for LDA+U calculations with complex
vorb potential" in SRC_lapwso: init.f.
How severe was that bug and in which cases did it show up? What is meant
by "complex vorb potential"?
Best regards,
Kateryna Foyevtsova
P.S. For a monoclinic sy
Addendum: apparently hyperthreading is not on, I was misled by
something on a linux forum that I used to test.
On Wed, Aug 1, 2012 at 9:10 AM, Laurence Marks
wrote:
> I am benchmarking some new nodes (Intel(R) Xeon(R) CPU E5-2660 0 @
> 2.20GHz) using the standard mpi Wien2k benchmark, and would
While testing a vendor's cluster, I came across what might be a
serious issue for future WIen2k jobs. With the latest architecture it
appears that 64 cores can in fact be slower than 32, using the
standard mpi test. The slowdown occurs in both PDSYGST and PDSYEVX. I
do not think that this is an is
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