[gmx-users] Confusing gmx tMPI Error

Mark Abraham mark.j.abraham at gmail.com
Wed May 30 22:07:42 CEST 2018


That sounds like a bug worth looking into. If you can open an issue at
https://redmine.gromacs.org/ and upload your inputs to grompp and mdrun and
the output (particularly the .log fie), then we can see if we can reproduce
the problem and find a fix.


On Wed, May 30, 2018 at 8:41 PM William Barber <william.barber1 at uoit.net>

> Hello, I have a system which I'm trying to simulate. I can get it to run on
> some systems with GPU or CPU just fine, and on one system which was working
> fine with Gromacs a few days ago I can only run it on the CPU. If I run it
> on the two GPUs in the system I get this error:
> Wrote pdb files with previous and current coordinates
> tMPI error: Receive buffer size too small for transmission (in valid comm)
> Aborted (core dumped)
> Clearly onl the tMPI line is truly relevant here. It's a very confusing
> error to receive, and I've been unable to find anything on the web
> regarding this error. The system functions fine on other systems on one or
> more GPUs or on any systems CPU, so I can only assume it has something to
> do with the GPUs on this system despite them working just fine a couple of
> days ago. The only "errors" before that are LINCS warnings, which I expect
> to see during this energy minimization process.
> To rule out it being a damaged install of Gromacs I've also gone and
> deleted and recompiled from scratch a clean copy of Gromacs 2016.4. Any
> suggestions on how I can better diagnose or solve this problem would be
> greatly appreciated! Thanks,
> Will
> University of Ontario Institute of Technology
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