GROMACS version:2022.1
GROMACS modification: No
Here post your question When I used GROMACS for REMD simulation, I built 48 replicas, corresponding to different temperature md.mdp files generated .tpr files, but I used mpirun -np 48 gmx_mpi mdrun -multidir md* -replex 1000 -deffnm md -ntomp 1 when submitting a computing task to the server, the following error appeared, what is the reason ?
Program: gmx mdrun, version 2022.1
Source file: src/gromacs/utility/futil.cpp (line 470)
MPI rank: 41 (out of 48)
File input/output error:
md.tpr
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