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 ------------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110626/3cb65978/attachment.htm
