Dear users, I am trying to run WIEN2k in a bash environment. My job script is shown below.
#!/bin/bash -f #SBATCH -J test1 #SBATCH -o test1.o%j #SBATCH -N 2 #SBATCH -n 16 #SBATCH -p normal #SBATCH -t 2:00:00 rm -fr .machines scontrol show hostnames "$SLURM_JOB_NODELIST" | sort -u > machh sed -e '1,$s/^/1:/' machh > .machines echo 'granularity:1' >>.machines echo 'extrafine:1' >>.machines mkdir /scratch/"$SLURM_JOB_NAME"."$SLURM_JOB_ID" export dir=/scratch/"$SLURM_JOB_NAME"."$SLURM_JOB_ID" export SCRATCH=/scratch/"$SLURM_JOB_NAME"."$SLURM_JOB_ID" runsp_lapw -ec 0.00001 -cc 0.0001 -i 100 -p rm -rf $dir However I always end up with the error below. I tried changing environment from bash to csh upon login but the problem still persists. The .machines file looks fine. LAPW0 END bash: lapw1: command not found bash: fixerror_lapw: command not found Warning: Permanently added 'c559-803,129.114.91.5' (RSA) to the list of known hosts.^M bash: lapw1: command not found bash: fixerror_lapw: command not found bulk.scf1up_1: No such file or directory. Illegal division by zero at /work/WIEN2k_12/bashtime2csh.pl_lapw line 42. bash: lapw1: command not found bash: fixerror_lapw: command not found bulk.scf1dn_1: No such file or directory. FERMI - Error cp: cannot stat `.in.tmp': No such file or directory > stop error Thank you.
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