calcoloscientifico:userguide:xcrysden
Differenze
Queste sono le differenze tra la revisione selezionata e la versione attuale della pagina.
| Entrambe le parti precedenti la revisioneRevisione precedenteProssima revisione | Revisione precedente | ||
| calcoloscientifico:userguide:xcrysden [29/05/2023 18:01] – federico.prost | calcoloscientifico:userguide:xcrysden [15/04/2025 23:08] (versione attuale) – fabio.spataro | ||
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| Linea 5: | Linea 5: | ||
| XCrySDen is a crystalline and molecular structure visualisation program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It runs on GNU/ | XCrySDen is a crystalline and molecular structure visualisation program aiming at display of isosurfaces and contours, which can be superimposed on crystalline structures and interactively rotated and manipulated. It runs on GNU/ | ||
| - | === Interactive Job XCrySDen=== | + | === Interactive Job XCrySDen === |
| - | After a X11 connection to the login machine: | + | Open an X11 connection to the login machine: |
| < | < | ||
| ssh -X name.surname@login.hpc.unipr.it | ssh -X name.surname@login.hpc.unipr.it | ||
| </ | </ | ||
| + | |||
| + | Alternatively, | ||
| Example of srun command to run XCrySDen on 1 node of the '' | Example of srun command to run XCrySDen on 1 node of the '' | ||
| Linea 17: | Linea 19: | ||
| < | < | ||
| srun \ | srun \ | ||
| - | --job-name=xcrysden\ | + | --job-name=xcrysden \ |
| --nodes=1 \ | --nodes=1 \ | ||
| --ntasks-per-node=1 \ | --ntasks-per-node=1 \ | ||
calcoloscientifico/userguide/xcrysden.1685376119.txt.gz · Ultima modifica: da federico.prost