https://www.hpc.unipr.it/dokuwiki/ 2026-04-30T14:09:17+00:00 https://www.hpc.unipr.it/dokuwiki/ https://www.hpc.unipr.it/dokuwiki/lib/exe/fetch.php?media=wiki:logo.png text/html 2026-04-27T06:29:37+00:00 fabio.spataro (fabio.spataro@undisclosed.example.com) https://www.hpc.unipr.it/dokuwiki/doku.php?id=calcoloscientifico:userguide:gaussian&rev=1777271377&do=diff Gaussian Gaussian Job Gaussian MPI Example script slurm-gaussian16-mpi.sh to run Gaussian 16 on 1 node using 28 cores and at most 80 GB of memory: #!/bin/bash #SBATCH --job-name=gaussian16_mpi #SBATCH --output=%x.%j.out #SBATCH --error=%x.%j.err #SBATCH --nodes=1 #SBATCH --ntasks-per-node=28 #SBATCH --mem=80G #SBATCH --time=1-00:00:00 #SBATCH --partition=cpu #SBATCH --qos=cpu # # Edit next line #SBATCH --account=<account> test -n "$SLURM_NODELIST" || exit test $SLURM_NNODES -eq 1 || exit … text/html 2026-04-02T14:10:25+00:00 fausto.pagani (fausto.pagani@undisclosed.example.com) https://www.hpc.unipr.it/dokuwiki/doku.php?id=calcoloscientifico:userguide&rev=1775139025&do=diff Login In order to access the resources, you must be included in the LDAP database of the HPC management server. Any user needs to be associatated to a research group. The current list of research groups is available here. Requests for new access must be sent to sti.calcolo<at>unipr.it by the contact person of the research group. text/html 2026-03-05T13:14:00+00:00 fausto.pagani (fausto.pagani@undisclosed.example.com) https://www.hpc.unipr.it/dokuwiki/doku.php?id=calcoloscientifico:risulati&rev=1772716440&do=diff The papers listed here describe results made possible in part by the support of the High Performance Computing facility of the University of Parma (HPC.unipr.it) : 2026 * Barreca, M. T.; Di Maiolo, F. Spin Coupling in Symmetric and Asymmetric Allyl and Phenalenyl Diradicals Bridged by an Inverted Singlet-Triplet System, J. Phys. Chem. A, (2026), DOI:10.1021/acs.jpca.6c00123. * Garrido-Rodríguez, Sara and Poronik, Yevgen M. and Delledonne, Andrea and Pescina, Silvia and Vargas Nadal, Guille… text/html 2026-02-25T14:08:29+00:00 fabio.spataro (fabio.spataro@undisclosed.example.com) https://www.hpc.unipr.it/dokuwiki/doku.php?id=calcoloscientifico:cluster:softwareapplicativo:conda_user&rev=1772028509&do=diff CONDA user defined environments Users or groups can build their own environments. General template General template that can be used to create personal or group environments: #!/bin/bash set -e module load miniconda3 source "$CONDA_PREFIX/etc/profile.d/conda.sh" CONDAENV_NAME='template' CONDAENV_VERSION=$(date '+%Y.%m.%d') PYTHON_VERSION='3.9' CONDAENV="${CONDAENV_NAME}-${CONDAENV_VERSION}" if [ $UID = 0 ]; then CONDAENV_PREFIX="/hpc/share/tools/miniconda3/envs/$CONDAENV" COND… text/html 2026-02-20T09:48:34+00:00 fausto.pagani (fausto.pagani@undisclosed.example.com) https://www.hpc.unipr.it/dokuwiki/doku.php?id=calcoloscientifico:comitato:start&rev=1771580914&do=diff Riunioni e Incontri (area privata) * 15 Febbraio 2024 - minute * 14 Dicembre 2022 - minute * 23 Settembre 2021 - minute * 07 Ottobre 2020 - minute * 17 Settembre 2019 - minute * 20 Marzo 2019 - minute * 21 Novembre 2018 - minute * 10 Luglio 2018 - minute * 23 Aprile 2018 - text/html 2026-02-20T09:08:26+00:00 fausto.pagani (fausto.pagani@undisclosed.example.com) https://www.hpc.unipr.it/dokuwiki/doku.php?image=calcoloscientifico%3Acomitato%3Adr_cts_calcolo_scientifico_coordinatore.pdf&ns=calcoloscientifico%3Acomitato&rev=1771578506&tab_details=history&media_do=diff&do=media <img src="https://www.hpc.unipr.it/dokuwiki/lib/images/fileicons/svg/pdf.svg" alt="dr_cts_calcolo_scientifico_coordinatore.pdf" loading="lazy" width="500" height="500" /> text/html 2026-01-28T13:18:10+00:00 fabio.spataro (fabio.spataro@undisclosed.example.com) https://www.hpc.unipr.it/dokuwiki/doku.php?image=calcoloscientifico%3Auserguide%3Afsl.jpg&ns=calcoloscientifico%3Auserguide&rev=1769606290&tab_details=history&media_do=diff&do=media <img src="https://www.hpc.unipr.it/dokuwiki/lib/exe/fetch.php?w=500&amp;h=500&amp;tok=228908&amp;media=calcoloscientifico:userguide:fsl.jpg" alt="fsl.jpg" loading="lazy" width="500" height="500" /> text/html 2026-01-22T08:22:15+00:00 fabio.spataro (fabio.spataro@undisclosed.example.com) 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