[gmx-users] Can not open file; traj.trr

[Yi Peng]

Thank you all. I was saving my previous trajectory in a different name file.
Now everything is working perfectly. Thanks again.

Yi

On Fri, Nov 13, 2009 at 1:34 PM, Amit Choubey <kgp.amit at gmail.com> wrote:

> in your previous run you might be saving the trajectory in some other *.trr
> file . Try appending in that.
>
> amit
>
>   On Fri, Nov 13, 2009 at 9:11 AM, Yi Peng <muhuohuohuo at gmail.com> wrote:
>
>>   Hi, everyone,
>>
>> I was using Gromacs-4.0.3 to run my MD calculations parallell on our High
>> performance clusters for a large system which was crashed because I run out
>> the time limits. So I tried to resume my calculations by the script as
>> follows:
>>
>> #PBS -N gromacs
>> #PBS -l walltime=250:00:00
>> #PBS -l nodes=8:ppn=2:quad
>> #PBS -j oe
>> echo Using nodes
>> cat $PBS_NODEFILE
>> module load mpich
>> module load intel-f
>> module load gromacs-4.0.3
>> cd $PBS_O_WORKDIR
>> cd /home/yxp17/impd/impd1/wt_wo
>> /usr/local/bin/mpiexec mdrun -multi 16 -s md.tpr -cpi state.cpt -append
>>
>>
>> But it will stop and show the message as follows
>>
>> "Whatever Happened to Pong ?" (F. Black)
>> Halting program mdrun
>> gcq#180: "Whatever Happened to Pong ?" (F. Black)
>> [0] MPI Abort by user Aborting program !
>> [0] Aborting program!
>> p0_12952:  p4_error: : -1
>>     p4_error: latest msg from perror: No such file or directory
>> -------------------------------------------------------
>> Program mdrun, VERSION 4.0.3
>> Source code file: gmxfio.c, line: 736
>> Can not open file:
>> traj.trr
>> -------------------------------------------------------
>> How can I solve the problem? Thanks a lot
>>
>> Yi
>>
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>
>
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