Re: [Wien] Error in job submission

2014-04-04 Thread Peter Blaha
it says: lapw1 not found and fixerror_lapw not found, but it can run lapw0. This indicates that the installation of WIEN2k is basically ok, but the parallelization does not work. See: Warning: Permanently added 'c559-803,129.114.91.5' (RSA) to the list of known hosts. I don't know

[Wien] Error in job submission

2014-04-03 Thread Francisco Garcia
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