<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" style="font-size:12pt;color:#000000;font-family:Calibri,Arial,Helvetica,sans-serif;" dir="ltr">
<p></p>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13784">
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13785">
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13786">
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13787">
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13788" style="color:#000;background-color:#fff;font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;">
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13789">Hello,</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13790"><br id="yiv8321024969yui_3_16_0_1_1488030541102_13791">
</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13792" dir="ltr">I am trying to run wien2k on cluster,</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13793" dir="ltr">after submitting this bash job I found this error</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13794" dir="ltr"><br id="yiv8321024969yui_3_16_0_1_1488030541102_13795">
</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13796" dir="ltr">ibnbadis15 nodelist<br id="yiv8321024969yui_3_16_0_1_1488030541102_13797">
8<br id="yiv8321024969yui_3_16_0_1_1488030541102_13798">
ibnbadis15<br id="yiv8321024969yui_3_16_0_1_1488030541102_13799">
8 CPU<br id="yiv8321024969yui_3_16_0_1_1488030541102_13800">
8<br id="yiv8321024969yui_3_16_0_1_1488030541102_13801">
8<br id="yiv8321024969yui_3_16_0_1_1488030541102_13802">
/var/log/slurm/spool_slurmd//job93135/slurm_script: /home/ahmedamine_dz/WIEN2k/run_lapw: /bin/csh: bad interpreter: No such file or directory</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13803" dir="ltr"><br id="yiv8321024969yui_3_16_0_1_1488030541102_13804">
</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13805" dir="ltr">the bash script used :</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13806" dir="ltr"><br id="yiv8321024969yui_3_16_0_1_1488030541102_13807">
</div>
<div id="yiv8321024969yui_3_16_0_1_1488030541102_13808" dir="ltr">#! /bin/bash<br id="yiv8321024969yui_3_16_0_1_1488030541102_14009">
#SBATCH --nodes=1<br id="yiv8321024969yui_3_16_0_1_1488030541102_14010">
#SBATCH --ntasks-per-node=8<br id="yiv8321024969yui_3_16_0_1_1488030541102_14011">
#########################<br id="yiv8321024969yui_3_16_0_1_1488030541102_14012">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14013">
export OMP_NUM_THREADS=1<br id="yiv8321024969yui_3_16_0_1_1488030541102_14014">
export WIENROOT=/scratch/daint/piyusha/wien2k<br id="yiv8321024969yui_3_16_0_1_1488030541102_14015">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14016">
echo $SLURM_NODELIST nodelist<br id="yiv8321024969yui_3_16_0_1_1488030541102_14017">
echo $SLURM_JOB_CPUS_PER_NODE<br id="yiv8321024969yui_3_16_0_1_1488030541102_14018">
list=`scontrol show hostname $SLURM_NODELIST | paste -d, -s`<br id="yiv8321024969yui_3_16_0_1_1488030541102_14019">
echo $list<br id="yiv8321024969yui_3_16_0_1_1488030541102_14020">
# Use , as list seperator<br id="yiv8321024969yui_3_16_0_1_1488030541102_14021">
IFS=','<br id="yiv8321024969yui_3_16_0_1_1488030541102_14022">
# Convert string to array<br id="yiv8321024969yui_3_16_0_1_1488030541102_14023">
hcpus=($SLURM_JOB_CPUS_PER_NODE)<br id="yiv8321024969yui_3_16_0_1_1488030541102_14024">
unset IFS<br id="yiv8321024969yui_3_16_0_1_1488030541102_14025">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14026">
declare -a conv<br id="yiv8321024969yui_3_16_0_1_1488030541102_14027">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14028">
# Expand compressed slurm array<br id="yiv8321024969yui_3_16_0_1_1488030541102_14029">
for cpu in ${hcpus[@]}; do<br id="yiv8321024969yui_3_16_0_1_1488030541102_14030">
echo $cpu CPU<br id="yiv8321024969yui_3_16_0_1_1488030541102_14031">
if [[ $cpu =~ (.*)\(x(.*)\) ]]; then<br id="yiv8321024969yui_3_16_0_1_1488030541102_14032">
# found compressed value<br id="yiv8321024969yui_3_16_0_1_1488030541102_14033">
# value=4<br id="yiv8321024969yui_3_16_0_1_1488030541102_14034">
value=${BASH_REMATCH[1]}<br id="yiv8321024969yui_3_16_0_1_1488030541102_14035">
factor=${BASH_REMATCH[2]}<br id="yiv8321024969yui_3_16_0_1_1488030541102_14036">
for j in $(seq 1 $factor); do<br id="yiv8321024969yui_3_16_0_1_1488030541102_14037">
conv=( ${conv[*]} $value )<br id="yiv8321024969yui_3_16_0_1_1488030541102_14038">
done<br id="yiv8321024969yui_3_16_0_1_1488030541102_14039">
else<br id="yiv8321024969yui_3_16_0_1_1488030541102_14040">
conv=( ${conv[*]} $cpu )<br id="yiv8321024969yui_3_16_0_1_1488030541102_14041">
fi<br id="yiv8321024969yui_3_16_0_1_1488030541102_14042">
done<br id="yiv8321024969yui_3_16_0_1_1488030541102_14043">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14044">
# Build .machines file<br id="yiv8321024969yui_3_16_0_1_1488030541102_14045">
rm -f .machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14046">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14047">
#echo $list | awk -F "," '{printf ("lapw0:");for (i=1;i<=NF;i++){printf ("%s ",$i)};printf("\n")}' >> .machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14048">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14049">
nhost=0<br id="yiv8321024969yui_3_16_0_1_1488030541102_14050">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14051">
echo -n 'lapw0:' >> .machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14052">
echo ${conv[@]};<br id="yiv8321024969yui_3_16_0_1_1488030541102_14053">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14054">
IFS=','<br id="yiv8321024969yui_3_16_0_1_1488030541102_14055">
for node in $list<br id="yiv8321024969yui_3_16_0_1_1488030541102_14056">
do <br id="yiv8321024969yui_3_16_0_1_1488030541102_14057">
declare -i cpuspernode=${conv[$nhost]};<br id="yiv8321024969yui_3_16_0_1_1488030541102_14058">
for ((i=0; i<${cpuspernode}; i++)) <br id="yiv8321024969yui_3_16_0_1_1488030541102_14059">
do<br id="yiv8321024969yui_3_16_0_1_1488030541102_14060">
echo -n $node" " >> .machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14061">
done<br id="yiv8321024969yui_3_16_0_1_1488030541102_14062">
let nhost+=1<br id="yiv8321024969yui_3_16_0_1_1488030541102_14063">
done <br id="yiv8321024969yui_3_16_0_1_1488030541102_14064">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14065">
echo " " >> .machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14066">
nhost=0<br id="yiv8321024969yui_3_16_0_1_1488030541102_14067">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14068">
echo ${conv[@]};<br id="yiv8321024969yui_3_16_0_1_1488030541102_14069">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14070">
IFS=','<br id="yiv8321024969yui_3_16_0_1_1488030541102_14071">
for node in $list<br id="yiv8321024969yui_3_16_0_1_1488030541102_14072">
do <br id="yiv8321024969yui_3_16_0_1_1488030541102_14073">
declare -i cpuspernode=${conv[$nhost]};<br id="yiv8321024969yui_3_16_0_1_1488030541102_14074">
echo -n 1: >> .machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14075">
for ((i=0; i<${cpuspernode}; i++)) <br id="yiv8321024969yui_3_16_0_1_1488030541102_14076">
do<br id="yiv8321024969yui_3_16_0_1_1488030541102_14077">
echo -n $node" " >> .machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14078">
done<br id="yiv8321024969yui_3_16_0_1_1488030541102_14079">
echo " " >> .machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14080">
let nhost+=1<br id="yiv8321024969yui_3_16_0_1_1488030541102_14081">
done <br id="yiv8321024969yui_3_16_0_1_1488030541102_14082">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14083">
echo 'granularity:1' >>.machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14084">
echo 'extrafine:1' >>.machines<br id="yiv8321024969yui_3_16_0_1_1488030541102_14085">
<br id="yiv8321024969yui_3_16_0_1_1488030541102_14086">
<div id="yui_3_16_0_1_1488030181804_32436" dir="ltr">run_lapw -p</div>
</div>
</div>
</div>
</div>
</div>
</div>
<br>
<p></p>
</div>
</body>
</html>