Hi Dan,
I've quickly checked (Intel 2017.4 + IntelMPI, 8 threads): no segfault
on rxsgld_4rep but mwabmd hangs forever...
I've double-checked with gcc 6.3.0 + openmpi 2.1.0, 8 threads, no problem.
Gerald.
On 04/06/2018 07:34 PM, Daniel Roe wrote:
> 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
>
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Received on Fri Apr 06 2018 - 13:00:03 PDT
