[Pw_forum] -rsh error in phonon calculation
Mohammad Saghayezhian
m.saghayezhian at gmail.com
Sun Jun 26 10:27:27 CEST 2011
Hello everybody,
I have a job file that perform a scf calculation (pw.x)
and phonon calculation (ph.x).
the script runs good for pw.x but when It reaches to run ph.x it gives me
this error:
Unable to read script file because of error: ERROR! invalid option argument
"-rsh"
mpi is fine and the espresso version is 4.1.2 and it does good for any other
calculation
but for phonon calculation that error appears
here is the script:
#!/bin/csh -f
#$ -N Auphon
#$ -S /bin/csh
#$ -pe mpi_o_* 16
#$ -M m.saghayezhian at gmail.com
#$ -m baes
#$ -o $JOB_NAME.$JOB_ID.out
#$ -notify
#$ -cwd
#$ -l h_rt=200:00:00
set mpi="/home-fs4/sp0088/mpi/xeon/mvapich-1.1/bin/mpirun_rsh"
set pwx="/home-fs4/hp0070/softs/espresso-4.1.2/bin/pw.x"
set phx="/home-fs4/hp0070/softs/espresso-4.1.2/bin/ph.x"
set case=aup
set wdir=`pwd`
set scratchfile="/scratch/hp0070/$case"
#set makdir="mkdir -p $scratchfile"
#set deldir="rm -rf $scratchfile"
set HOSTFILE="$TMPDIR/machines"
cat $HOSTFILE > $wdir/$case.host
set nodes=16
setenv MKL_NUM_THREADS 1
setenv OMP_NUM_THREADS 1
mkdir -p $scratchfile
@ i=1
while ( $i <= $nodes )
set node=` head -$i $wdir/$case.host | tail -1 `
rsh $node $makdir
@ i= $i + 4
end
# cat $PE_HOSTFILE | cut -c 1-6 > .hostfile
# HOSTFILE=".hostfile" # HOSTFILE=$PE_HOSTFILE
echo $NSLOTS
### Here we have a real running command
$mpi -rsh -np 16 -legacy -hostfile $wdir/$case.host $pwx -npool 2 <
$wdir/au-a3.90108 > $wdir/scf.out
cat << end2 > $wdir/ph.in
phonon
&inputph
tr2_ph=1.0d-14,
prefix='Au',
ldisp=.true.,
nq1=4 , nq2=4 , nq3=4,
amass(1)=196.96655,
outdir='./',
fildyn='au.dyn',
/
end2
$mpi -rsh -np 16 -legacy -hostfile $wdir/$case.host $phx -npool 2 < $wdir/
ph.in > $wdir/ph.out
rm -rf $scratchfile
#./job1 #/homes/hp0070/bin/killpwx ./$case.host
rm -rf $scratchfile
@ i=1
while ( $i <= $nodes )
set node=` head -$i $wdir/$case.host | tail -1 `
rsh $node $deldir
@ i= $i + 4
end
echo finished
-------------------------------------------------------------------
Mohammad Saghayezhian
Computational Condensed Matter Research Lab
Physics Department, Isfahan University of Technology, Isfahan, Iran
Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746
-------------------------------------------------------------------
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