Hi,
I have tried 16 treads in the RC4 with "./configure -mpi gnu". The "make test" hangs in one of the cpptraj tests, but if I manually run ./test_amber_parallel.sh I get the following:
198 file comparisons passed
3 file comparisons failed
0 tests experienced an error
The tests that fail are: pmemdTI/campTI and phtremd/explicitRst. I sent a commit a couple a days ago to disable phtremd/explicitRst for 16 treads.
Are the errors Dan is seeing then due to the intel compiler?
Vinícius Wilian D Cruzeiro
PhD Candidate
Department of Chemistry, Physical Chemistry Division
University of Florida, United States
Voice: +1(352)846-1633
________________________________
From: Scott Brozell <sbrozell.rci.rutgers.edu>
Sent: Friday, April 6, 2018 1:47:40 PM
To: AMBER Developers Mailing List
Subject: Re: [AMBER-Developers] pmemd.MPI rxsgld_4rep test segfault/hang
Hi,
I have not seen it, but i have not tested with high thread counts.
I'll try that later today.
scott
On Fri, Apr 06, 2018 at 01:34:15PM -0400, Daniel Roe wrote:
> 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:
> https://urldefense.proofpoint.com/v2/url?u=http-3A__ambermd.org_pmwiki_pmwiki.php_Main_Amber18Test&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=LIQu8OlVNKmzfbMg9_5FnKrt9-DrdQBJXyFyocKAWXc&m=EBXRCHovlbAf57bJK7K5Y7Adu4m0OIU4jfzoVbACU0M&s=X0puHPlCdZuscIUhP95DtGx0UQJhfGWLJP6G_5zsC3w&e=
>
> Has anyone else seen this behavior? Is anyone else testing with higher
> thread counts?
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Received on Fri Apr 06 2018 - 13:00:04 PDT
