[gmx-users] Checksum and .log error

Mark Abraham mark.j.abraham at gmail.com
Thu Jun 16 22:04:33 CEST 2016


Hi,

Mdrun is reporting that your entire file can't be read, which likely means
that something a out the filsystem or the way you are using it is broken.
It doesn't look like a gromacs problem...

Mark

On Thu, 16 Jun 2016 18:54 ingram <ingram at fhi-berlin.mpg.de> wrote:

> Version 5.1.2
> md_golp_vacuo.log is only 207KB
> md_golp_vacuo.cpt is 97KB
> md_golp_vacuo.trr is 19MB
>
> Im not sure what you mean but the .cpt files were all read at the same
> time.
>
> Best
>
> Teresa
>
> On 2016-06-16 15:07, Mark Abraham wrote:
> > Hi,
> >
> > What GROMACS version? How big is the file? What does your filesystem
> > report
> > for the access times for all the output files? A possible culprit
> > would be
> > a file that is greater than 2GB in size being accessed when that
> > can't work.
> >
> > Mark
> >
> > On Thu, Jun 16, 2016 at 3:03 PM ingram <ingram at fhi-berlin.mpg.de>
> > wrote:
> >
> >> Dear Grommunity,
> >>
> >> I recently ran a several simulations that stopped but had not
> >> finished.
> >> I tried to restart them using mpiexec -np 320 mdrun_mpi -v -deffnm
> >> md_golp_vacuo -s topol.tpr -cpi md_golp_vacuo.cpt -multidir simann1
> >> simann2 simann3 simann4 simann5 simann6 simann7 simann8 simann9
> >> simann10
> >> simann11 simann12 simann13 simann14 simann15 simann16
> >>
> >> and I get the error: Can't read 209491 bytes of 'md_golp_vacuo.log'
> >> to
> >> compute checksum. The file has been replaced or its contents have
> >> been
> >> modified. Cannot do appending because of this condition.
> >>
> >>
> >> Can someone tell me why? I really didnt change the files.
> >>
> >>
> >> Best
> >>
> >> Teresa
> >> --
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