[gmx-users] Rerun error - the file has been replaced or its content has been changed

[Steven Neumann]

Well, I did not change anything. I use Gromacs 4.5.4. Other windows work
fine, just 2 out of 30 failed like this. Shall I rerun it from the begining
then?

On Mon, Apr 9, 2012 at 8:04 PM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

> On 10/04/2012 4:50 AM, Steven Neumann wrote:
>
>> Dear Gmx Users,
>>
>> I am running umbrella sampling on the cluster. The wall time is 72 hours
>> so I have to rerun my simulation every time. After first 72 hours I rerun
>> my simulation:
>>
>> pbsexec mpiexec mdrun -s umbrella0.tpr -cpi umbrella0.cpt -append -deffnm
>> umbrella0 -pf pullf-umbrella0.xvg -px pullx-umbrella0.xvg
>>
>> where tpr file is the one used in the initial MD run. Then I got:
>>
>> Fatal error:
>> Can't read 640794 bytes of 'pullx-umbrella0.xvg' to compute checksum. The
>> file has been replaced or its contents has been modified.
>>
>>
>> Do you have any clue?
>>
>
> It means what it says. The files cannot change between runs if you wish to
> use -append. It is possible your filesystem was transiently failing to
> serve the correct file.
>
> Mark
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