https://it.chem.tu-berlin.de/wiki/ 2026-04-28T16:12:59+00:00 https://it.chem.tu-berlin.de/wiki/ https://it.chem.tu-berlin.de/wiki/lib/tpl/arctic/images/favicon.ico text/html 2019-05-02T15:56:56+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:slurm_usage:packages_jobscript:gaussian&rev=1556805416&do=diff Gaussian text/html 2020-02-19T20:04:56+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:slurm_usage:packages_jobscript:orca&rev=1582139096&do=diff ORCA #!/bin/bash --login ################################################################################################### # WARNING: Please adapt all relevant parameters so that they fit the requirements of your job(s). # ################################################################################################### # #SBATCH -o %x.%j.%N.out # for debugging purposes: redirect SLURM's stdout (p… text/html 2019-05-02T15:56:27+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:slurm_usage:packages_jobscript:start&rev=1556805387&do=diff Example batch job scripts for program packages packages_jobscript index text/html 2019-05-02T15:57:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:slurm_usage:packages_jobscript:turbomole&rev=1556805433&do=diff Turbomole