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 -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.