[gmx-users] Split Trajectory file into parts
johnny.lu128 at gmail.com
Sat Aug 29 15:10:30 CEST 2015
Simulation writes to a Lustre file system (a distributed file system made
of many hard drives).
About 100 Gb was written in 1 hrs. After a while, gromacs 5.1 says it can't
write the trajectory file.
The file system still has lots of space. Not sure if that was because one
of the many hard drives filled up.
Is it possible to ask gromacs to automatically split the trajectory files
Or, I have to write a shell script to make gromacs restart the simulation
every 15 minutes?
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