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