[gmx-users] Fatal error: file type out of range (48)

Justin A. Lemkul jalemkul at vt.edu
Thu Jul 28 16:52:01 CEST 2011

Carla Jamous wrote:
> Hi,
> Please does anyone Know what this error means?
> Fatal error:
> file type out of range (48)
> Here's my script:
> #PBS -S /bin/bash
> #PBS -N job_md6ns
> #PBS -e job_md6ns.err
> #PBS -o job_md6ns.log
> #PBS -m ae -M carlajamous at gmail.com <mailto:carlajamous at gmail.com>
> #PBS -l select=2:ncpus=8:mpiprocs=8
> #PBS -l walltime=024:00:00
> export GMXLIB=$GMXLIB:/scratch/carla/top:.
> module load gromacs
> mdrunmpi="mpiexec /opt/software/SGI/gromacs/4.5.4/bin/mdrun"
> ${mdrunmpi} -v -s  .tpr -o  .trr -cpo state_6ns.cpt -c  .gro -x  .xtc -e 
> .edr -g .log

This mdrun command does not make sense.  You can't simply supply file extensions 
as the arguments, and hence you're being told that the file type (detected from 
the extension of a real file name) is null.  Provide real file names.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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