[mvapich-discuss] mvapich2-2.2 hangs with VASP

[Panda, Dhabaleswar]

We had an offline discussion on this.

Judy - Thanks for letting us know that the issue is resolved. I am posting it to the mailing list for everybody's information.

Thanks,

DK

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I have an update on this.  The user modified one of the VASP parameters and it stopped hanging.  So this is resolved.

Thanks.
Judy


________________________________
From: mvapich-discuss-bounces at cse.ohio-state.edu on behalf of Gardiner, Judith
Sent: Tuesday, September 27, 2016 1:36 PM
To: mvapich-discuss at cse.ohio-state.edu
Subject: [mvapich-discuss] mvapich2-2.2 hangs with VASP

I’ve been trying to run VASP 5.4.1 with mvapich2 2.2 but it hangs for certain problems and/or numbers of nodes and cores.  Oddly enough, 2.2rc1 works better than 2.2, although it fails in some cases.

We’ve seen similar problems with earlier releases of mvapich2.  The last release that worked with VASP was mvapich2 1.9, which we’re not installing on our newest cluster.

You’ve given me various environment variables to set in the past, but I thought they were temporary workarounds, and I don’t remember what they were.  I’ve never been able to come up with a simple reproducer.

Our workaround is to use IntelMPI, but we’re disappointed because mvapich2 1.9 used to be faster than IntelMPI.

Judy

--
Judith D. Gardiner, Ph.D.
Ohio Supercomputer Center
614-292-9623
judithg at osc.edu<mailto:judithg at osc.edu>

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