On 5/23/13 12:53 PM, mu xiaojia wrote:
Dear users,
I have used gromacs a while, however, sometime, when I run it on
supercomputer-clusters, I saw mdrun will generate a lot of files with "#",
which occupied a lot of space, does anyone know why and how to avoid it?
Thanks
example, my command"mdrun_mpi -s -deffnm job -cpi -append"
then besides ordinary md result files, it will also generate things like:
#job.xtc.1# #job.xvg.1# job
These are backups of previous runs that have been issued with the same command.
All Gromacs commands have this behavior - rather than overwriting your files,
it backs them up. Either clean up your directories prior to issuing your
commands, or use unique file names or directories.
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list [email protected]
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [email protected].
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
