Dear All,
I am trying to run WIEN2k parallel. My shell script is looking like this.
However, in the out.log file it is showing
----------------------------------------------
lapw0: Command not found.
> stop error
-----------------------------------------------
please help.
############### script ##############################
#!/bin/bash
#PBS -N wien2k
#PBS -o out.log
#PBS -j oe
#PBS -l nodes=1:ppn=1
# Load Intel environment
source
/apps/intel_2016_u2/compilers_and_libraries_2016.2.181/linux/bin/compilervars.sh
intel64
cd /home/sjana/WIEN2k/PBE/C_pbe
rm -f .machines
echo '#' > .machines
echo 'granularity:1' >>.machines
awk '{print "1:"$1":1"}' $PBS_NODEFILE >>.machines
echo 'extrafine:1' >>.machines
/home/sjana/WIEN2k_14.2/run_lapw -p -i 40 -ec .0001 -I
Regards,
S. Jana
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