Dear:
I use g_tune_pme for MD production but it clashed before the job
finished since it is over cluster walltime limitation. I get the
following information from perf.out:
mpirun -np 144 mdrun -npme -1 -s tuned.tpr -v -o md.trr -c md.gro -e
md.edr -g md.log
I am just wondering, is it correct using the following command to append
the jobs?
mpirun -np 144 mdrun -npme -1 -s tuned.tpr -v -f md.trr -e md.edr -g
md.log -o md.trr -cpi -append
thank you very much
best
Albert
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