[gmx-developers] Override checksum check for log files?

hess at sbc.su.se hess at sbc.su.se
Fri Oct 15 08:47:49 CEST 2010


If you're happy with not appending any file, simply use -noappend.

Currently there is no option to skip the check.
But that would also be difficult or unsafe.
Often some extra frames will need to be removed from output files.
When the contents does not match, what do you do?


> Hi,
> my runs in append mode crash with this error
> Fatal error:
> Checksum wrong for 'native27.log'. The file has been replaced or its
> contents has been modified.
> mdrun is correct that I have meddled with the log file (I merged two
> logfiles manually). Do I need to unmerge them or is there some hidden
> environment variable that let me skip this check?
> Thanks,
> --
> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205.
> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
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