It's trying to run a test MPI mdrun (with -version -maxh 0.001) to
check that things work, before you get error messages that confuse the
issue with doing actual PME run testing. So maybe you need to sort out
the run-time working directories to match. See what you need to do to
run such an mdrun "b
Hello,
I tried as you suggested but the utility still fails. The job output
file contains a myriad of errors like this:
Program g_tune_pme, VERSION 4.6.3
Source code file:
/home/ihpczidj/scratch/gromacs-4.6.3/src/tools/gmx_tune_pme.c, line:
665
Fatal error:
Output from test run could not be foun
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