[gmx-users] core dump

[Mohamed Abdelaal]

Hello everybody

I have been using GROMACS 2018.1 in the last month and I got an error "core
dumped" while running the simulation. Accordingly, I have installed the
2020.1 version and while I am doing pressure equilibration (npt), I had the
same error again (I paste it below) which is core dumped. Is it a problem
in this version or I might have done something wrong while running the
equilibration ?

I would really appreciate it, if anyone can guide me. I have pasted the
error below

Thanks
Mohamed

                  :-) GROMACS - gmx mdrun, 2020.1 (-:

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GROMACS:      gmx mdrun, version 2020.1
Executable:   /home/abdelaal/build2/gromacs-2020.1/build/bin/gmx
Data prefix:  /home/abdelaal/build2/gromacs-2020.1 (source tree)
Working dir:  /home/abdelaal/Desktop/GROMACS/C60:TAPC/C60_GRM/22
Command line:
  gmx mdrun -v -deffnm npt

Reading file npt.tpr, VERSION 2020.1 (single precision)
Changing nstlist from 10 to 100, rlist from 1 to 1

Using 1 MPI thread

Non-default thread affinity set, disabling internal thread affinity

Using 8 OpenMP threads

starting mdrun 'GRM in vacuum'
50000 steps,     25.0 ps.
step 44700, remaining wall clock time:   137 s
Step 44790  Warning: pressure scaling more than 1%, mu: 1.01937 1.01937
1.01937
Segmentation fault (core dumped)