[gmx-users] Reg No error in output

[vidhya sankar]

Dear Justin Thank you for your Previous reply

When i Run the Gromacs job in cluster the Job has been terminated withou any error . The md.log files does not show any error So i am not able to find out such abnormal termination . i have used the following script
Should i remove the characrer  &>/dev/null  at the End of mdrun  command line
I do not know Why this Happens? how to Avoid this ? is there is any memorry problem

I am sure of that there is No error in input Because it Already  run  succesfully.



##!/bin/bash
#PBS -N boojob 
#PBS -l nodes=compute-0-2:ppn=8 
#PBS -l walltime=900:10:5
date      
#PBS -l pmem=4000MB 
# PBS -m ae  boopathi at gmail.com
cd $PBS_O_WORKDIR
TMPDIR=/scratch/boo_vs 
mkdir $TMPDIR
hostname
echo "files copied from" $PBS_O_WORKDIR 
echo "to computing directory" $TMPDIR
cd $TMPDIR

cp $PBS_O_WORKDIR/A1-40a.tpr  $TMPDIR/
    
mpirun=/opt/openmpi/bin/mpirun
    
LD_LIBRARY_PATH=/share/apps/gromacsplu/lib

source="/share/apps/gromacsplu//bin"  
MDRUN="/share/apps/gromacsplu/bin/mdrun_mpi_d"
$mpirun -np 8 $MDRUN -s A1-40a.tpr  -nt 1  -plumed plumed.dat   -v   -deffnm   A1-40a &>/dev/null
#exit
cp --force $TMPDIR/* $PBS_O_WORKDIR/out2/
rm -rf $TMPDIR
date