[gmx-users] tune_pme error with GROMACS 2018

Daniel Kozuch dan.kozuch at gmail.com
Sun Feb 11 20:14:24 CET 2018


I was recently trying to use the tune_pme tool with GROMACS 2018 with the
following command:

gmx tune_pme -np 84 -s my_tpr.tpr -mdrun 'gmx mdrun'

but I'm getting the following error:

"Fatal error:
Cannot execute mdrun. Please check benchtest.log for problems!"

Unfortunately benchtest.log is an empty file. I saw that there were some
similar problems with GROMACS 5. Is this still an issue?


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