replica exchange and -append bugged? - Redmine #2233
Archive from user: Arthur Voronin
2 out of 14 replica exchange simulations didnt finish on my cluster due
to some nodes having performance problems.
I wanted to restart those 2 simulations and append everything to the old
files. my command was:
mpirun gmx_mpi mdrun -s rex*.tpr -cpi state*.cpt -append -replex 1000 -multi 100 …
however I observed that all old files were backed up with #filename# and it looked like a new simulation started, since the step counter began by 0 again. did I do something wrong or is there a bug with the -append option?
Best regards,
Arthur
(from redmine: issue id 2233, created on 2017-08-18 by gmxdefault)
- Relations:
- relates #1889 (closed)
- relates #2173 (closed)
- relates #942 (closed)
- Uploads: