Hi All,
I've been trying to test Amber and AmberTools in parallel with higher
thread counts. Currently for me (using Intel 17.0.4 /mvapich 2.2)
pmemd.MPI will segfault and hang on the rxsgld_4rep test with 8
threads (4 threads is ok).
Also, all of the mwabmd tests appear to have issues with 8 threads
(sander as well). A few more details are here:
http://ambermd.org/pmwiki/pmwiki.php/Main/Amber18Test
Has anyone else seen this behavior? Is anyone else testing with higher
thread counts?
-Dan
--
-------------------------
Daniel R. Roe
Laboratory of Computational Biology
National Institutes of Health, NHLBI
5635 Fishers Ln, Rm T900
Rockville MD, 20852
https://www.lobos.nih.gov/lcb
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Received on Fri Apr 06 2018 - 11:00:02 PDT
