GROMACS version: 2021.5
GROMACS modification: Yes compiled with
I am getting an error that has been seen before but to get troubleshooting help from my Cluster admins I need to know where the checkpoint files are being written/read to when running with
mpirun. This is the error that happen when you probably do not have permissions to the folder on the cluster nodes:
Source file: src/gromacs/mdlib/mdoutf.cpp (line 463) MPI rank: 0 (out of 16) File input/output error: Cannot rename checkpoint file; maybe you are out of disk space?
I run with in a directory on my own LSF storage so I have access here
mpirun --wdir . -np 16 /usr/local/gromacs/bin/gmx mdrun -ntmpi 16 -ntomp 6 -npme 4 -ntomp_pme 1 -deffnm md_0_1 -nb gpu
So my admins need to know where might mpi be reading and writing from?