IT-Bereich des Instituts für Chemie hpc:hpc_tubit https://it.chem.tu-berlin.de/wiki/ 2026-04-28T14:18:22+00:00 IT-Bereich des Instituts für Chemie https://it.chem.tu-berlin.de/wiki/ https://it.chem.tu-berlin.de/wiki/lib/tpl/arctic/images/favicon.ico text/html 2018-11-29T00:23:28+00:00 Anonymous (anonymous@undisclosed.example.com) Available Program Packages https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:module_package&rev=1543447408&do=diff Available Program Packages A) <html> Prof. Kaupp's and Prof. Mroginski's group: </html> * Gaussian 16 (only SMP executables; no Linda parallel) Loading module: export MODULEPATH=<html>„</html>/home/units/Fak_II/quantenchemie/gaussian/modules:$MODULEPATH text/html 2018-09-01T11:55:49+00:00 Anonymous (anonymous@undisclosed.example.com) Using the SLURM batch job facility https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:slurm_usage&rev=1535795749&do=diff Still under construction Using the SLURM batch job facility Common Commands * slurm (introduction) * interactive jobs: salloc (only interactive jobs) && srun (interactive jobs and tasks) * batch jobs: sbatch (batch jobs to queue) * scancel text/html 2019-02-08T19:37:16+00:00 Anonymous (anonymous@undisclosed.example.com) TUB HPC - User Documentation https://it.chem.tu-berlin.de/wiki/doku.php?id=hpc:hpc_tubit:start&rev=1549651036&do=diff TUB HPC - User Documentation hpc_tubit index