Hi all,
I am using LAMMPS for my work. Recently,i am encountering some problem.
During my simulations, i tried to dump (dump ATOM style) every 10fs for a 500ps simulation.
Then when i looked at the dumps file, i found some frames missing in the file. Could you let me know
how can i proceed to overcome this problem.
Thanks in advance
Regards
Naresh
Hi all,
I am using LAMMPS for my work. Recently,i am encountering some problem.
During my simulations, i tried to dump (dump ATOM style) every 10fs for a 500ps simulation.
Then when i looked at the dumps file, i found some frames missing in the file. Could you let me know
how can i proceed to overcome this problem.
this is unlikely a LAMMPS problem unless you can show
that there is a specific pattern to the missing frames.
in order to debug this, you have to find a way to reproduce
this quickly.
more likely is that you have a filesystem issue.
axel.
Have you tried using "dump_modify myDump flush yes" ?
According to the doc file:
"The flush keyword determines whether a flush operation is invoked
after a dump snapshot is written to the dump file. A flush insures the
output in that file is current (no buffering by the OS), even if
LAMMPS halts before the simulation completes."
Hi ,
Thanks for the information. There is no specific patterns for the missing frames.
Hence it is completely random. I will try to reproduce it and post it soon.
Regards
Naresh
Hi,
Thanks for the suggestions. I havent tried this option before.
I would try it and let you know the update.
Regards
Naresh