[Pw_forum] Help with running QE on supercomputer

Cameron Foss cjfoss at umass.edu
Fri Aug 29 22:10:40 CEST 2014


Hello all,

I am using TACC's supercomputer GORDON to do some phonon dispersion
calculations for silicon. However,  i am having trouble getting my batch
scripts working, I keep getting this error:

[gcn-7-16.sdsc.edu:mpirun_rsh][child_handler] Error in init phase,
aborting! (0/1 mpispawn connections)

GORDON system details:

Does anyone know what may be the issue here?

here is the script file:
#!/bin/sh
#PBS -N silconPH
#PBS -l nodes=4:ppn=16:native
#PBS -l walltime=00:15:00
#PBS -q normal
#PBS -o si.scf.out
#PBS -A sef101
#PBS -m bea
#PBS -M cjfoss at umass.edu
#######################################################

cd $PBS_O_WORKDIR

#module swap mvapich2_ib openmpi_ib
export ESPRESSO_HOME=$HOME/espresso-5.1
export ESPRESSO_TMPDIR=$PBS_O_WORKDIR
export ESPRESSO_PSEUDO=$ESPRESSO_HOME/pseudo

#export OMP_NUM_THREAD = 32

mpirun_rsh -np $PBS_NP -hostfile $PBS_NODEFILE $ESPRESSO_HOME/bin/pw.x <
si.scf.in

Best,
Cameron
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