cp2k.ssmp maximum number of threads?
riv... at gmail.com
Thu Nov 30 12:36:09 UTC 2017
Dana ponedjeljak, 27. studenoga 2017. u 17:57:30 UTC+1, korisnik Faraz H
> Did you try setting OMP_NUM_THREADS=16 or 32 before running it?
Yes, did not help.
> And did you compile on this machine or copy the executable from somewhere
> else? I have seen a strange issue where if you compile on say a 8cpu
> machine, then the executable won't use more than 8cpus on a larger machine..
Wow. This helped indeed. I'll look into why it happens when I find time,
> On Monday, November 27, 2017 at 9:59:24 AM UTC-5, Vedran Miletić wrote:
>> is there a maximum number of threads that cp2k.ssmp will use? I have been
>> trying small systems (2-5 heavy atoms), but it doesn't go above 8 threads
>> on a dual-CPU 16-core 32-thread machine.
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