GROMACS version: 2021.3
GROMACS modification: Yes/No
Hello all, GROMACS convert-tpr is currently giving me this error:
To clarify, I am running this through SBGrid where I have forced the setting of “2020.2_cu9.2.88” as my grimaces version using my SBGrid configuration file.
Has anyone seen anything similar before?
gmx convert-tpr, version 2021.3
Data prefix: /programs/x86_64-linux/gromacs/2021.3_cu10.2/bin/…/…/gromacs-2021.3-lzui
Working dir: /project2/arac/…
gmx convert-tpr -s protein_md_1us.tpr -o protein_md_1us_ana.tpr
Reading file protein_md_1us.tpr, VERSION 2020.2 (single precision)
Note: file tpx version 119, software tpx version 122
/programs/share/capsules/lib/job.sh: line 120: 42440 Segmentation fault “SB_EXECFILE" "@”