[gmx-users] Checksum and .log error

[ingram]

Hi Grommunity,

It seems like the runs have finished at different steps....would this 
call the error?

Best

Teresa


On 2016-06-16 22:04, Mark Abraham wrote:
> 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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