GROMACS version: 2020
GROMACS modification: No
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Dear Gromacs user,
This problem kept reoccurring when I restart my simulation, this happened many times and I have to restart the simulation everytime. Can someone give me some clue what is happening with this error? This never occurred with older version of Gromacs.
rogram: gmx mdrun, version 2020-UNCHECKED
Function: std::tuple<gmx::StartingBehavior, std::unique_ptr<t_fileio, gmx::functor_wrapper<t_fileio, gmx::closeLogFile> > > gmx::handleRestart(bool, MPI_Comm, const gmx_multisim_t*, gmx::AppendingBehavior, int, t_filenm*)
MPI rank: 27 (out of 40)
Communication (parallel processing) problem:
Source file: src/gromacs/mdrunutility/handlerestart.cpp (line 681)
Function: std::tuple<gmx::StartingBehavior, std::unique_ptr<t_fileio, gmx::functor_wrapper<t_fileio, gmx::closeLogFile> > > gmx::handleRestart(bool, MPI_Comm, const gmx_multisim_t*, gmx::AppendingBehavior, int, t_filenm*)
MPI rank: 38 (out of 40)
Communication (parallel processing) problem:
Another MPI rank encountered an exception
For more information and tips for troubleshooting, please check the GROMACS
website at Errors - Gromacs
Another MPI rank encountered an exception
For more information and tips for troubleshooting, please check the GROMACS
website at Errors - Gromacs
Thanks a lot!
Best,
Ben