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 by hand.
You should only get one such error per run of g_tune_pme, not myriads.
Mark
On Fri, Aug 16, 2013 at 7:38 AM, Jernej Zidar jernej.zi...@gmail.com wrote:
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 found.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
- - -
What kind of output does g_tune_pme try to read if there's no output
at that time?
Jernej
export MPIRUN=$(which srun) should be all you need to help g_tune_pme
to understand how to start an MPI calc. g_tune_pme runs in serial, but
it needs to *call* srun.
Mark
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