Hi Gavin Abo, I change my job script as follows: ################################# #!/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 -n 'lapw0:' > .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 ########################################### Now the out.log awk: cmd. line:1: fatal: cannot open file `-np' for reading (No such file or directory) ssh: Could not resolve hostname granularity: Name or service not known^M > stop error Regards, S. Jana
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