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 carlajam...@gmail.com <mailto:carlajam...@gmail.com>
#PBS -l select=2:ncpus=8:mpiprocs=8
#PBS -l walltime=024:00:00
cd $PBS_O_WORKDIR
export GMXLIB=$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
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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