Hi All,

I am using QE for 1.5 years and calculating phonon frequencies for isotopic 
molecules. I am using a server in my Institute and I am running jobs in 
parallel with mpi enabled through qsub using PBS job scripts. The problem is 
when I run multiple optimization jobs for pw.x only one of them completes and 
others stop in between at random places without finishing.
This problem does not occur in phonon calculation jobs in ph.x code. Please 
help me to understand the problem. My cluster admin told me that two jobs are 
interfering but why this is occurring only with optimization jobs? one pbs 
script is attached below.

#PBS -N opt
#PBS -l select=4:ncpus=24:mem=120GB
#PBS -q long
#PBS -S /bin/bash
mpirun -np 96 '/home/pramanik/qe-6.7/bin/pw.x' </work/pramanik/c332pbesolvc.in> 


Chirantan Pramanik
Postdoctoral Researcher
Dept. of Earth and Planetary Sciences
Weizmann Institute of Science
Rehovot, Israel
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