https://wiki.nlhpc.cl/index.php?action=history&feed=atom&title=Siesta 2026-05-07T23:36:04Z Historial de revisiones de esta página en la wiki MediaWiki 1.39.3 https://wiki.nlhpc.cl/index.php?title=Siesta&diff=775&oldid=prev 2024-05-02T21:59:20Z

<p><span dir="auto"><span class="autocomment">Ejemplo de Lanzador</span></span></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="es"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Revisión anterior</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revisión del 21:59 2 may 2024</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l26">Línea 26:</td> <td colspan="2" class="diff-lineno">Línea 26:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>export OMP_NUM_THREADS=1</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>export OMP_NUM_THREADS=1</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>DTMP=&quot;/tmp/${SLURM_JOB_ID}&quot;  # recomendamos siempre trabajar en el /tmp del nodo local (al menos 200G disponibles en <del style="font-weight: bold; text-decoration: none;">slims</del>)</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>DTMP=&quot;/tmp/${SLURM_JOB_ID}&quot;  # recomendamos siempre trabajar en el /tmp del nodo local (al menos 200G disponibles en <ins style="font-weight: bold; text-decoration: none;">general</ins>)</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mkdir $DTMP # creamos el directorio</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mkdir $DTMP # creamos el directorio</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cp ejemplo.fdf *psf *DM $DTMP # copiamos los archivos fuente hacia /tmp</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cp ejemplo.fdf *psf *DM $DTMP # copiamos los archivos fuente hacia /tmp</div></td></tr> </table>

Jmorales https://wiki.nlhpc.cl/index.php?title=Siesta&diff=675&oldid=prev 2024-02-27T19:34:12Z

<p><span dir="auto"><span class="autocomment">Ejemplo de Lanzador</span></span></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="es"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Revisión anterior</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revisión del 19:34 27 feb 2024</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l15">Línea 15:</td> <td colspan="2" class="diff-lineno">Línea 15:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#!/bin/bash</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#!/bin/bash</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --job-name=&quot;siesta&quot;</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --job-name=&quot;siesta&quot;</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --partition=&quot;<del style="font-weight: bold; text-decoration: none;">slims</del>&quot;</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --partition=&quot;<ins style="font-weight: bold; text-decoration: none;">general</ins>&quot;</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --nodes=6 # lo máximo seria 6, lo mínimo 1</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --nodes=6 # lo máximo seria 6, lo mínimo 1</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --ntasks-per-node=20 # ocuparía 120 cores en total</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --ntasks-per-node=20 # ocuparía 120 cores en total</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --mem-per-cpu=<del style="font-weight: bold; text-decoration: none;">2300</del></div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --mem-per-cpu=<ins style="font-weight: bold; text-decoration: none;">4363</ins></div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --output=%x_%j.out</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --output=%x_%j.out</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --error=%x_%j.err</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>#SBATCH --error=%x_%j.err</div></td></tr> </table>

Jmorales https://wiki.nlhpc.cl/index.php?title=Siesta&diff=504&oldid=prev 2022-12-06T15:59:05Z

<p><span dir="auto"><span class="autocomment">Ejemplo de Lanzador</span></span></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="es"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Revisión anterior</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revisión del 15:59 6 dic 2022</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l29">Línea 29:</td> <td colspan="2" class="diff-lineno">Línea 29:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mkdir $DTMP # creamos el directorio</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>mkdir $DTMP # creamos el directorio</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cp ejemplo.fdf *psf *DM $DTMP # copiamos los archivos fuente hacia /tmp</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cp ejemplo.fdf *psf *DM $DTMP # copiamos los archivos fuente hacia /tmp</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div><del style="font-weight: bold; text-decoration: none;">&lt;/pre></del></div></td><td colspan="2" class="diff-side-added"></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cd $DTMP # entramos al directorio</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cd $DTMP # entramos al directorio</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>srun siesta &lt; ejemplo.fdf # la salida del programa queda en el archivo de log</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>srun siesta &lt; ejemplo.fdf # la salida del programa queda en el archivo de log</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cp * $HOME/siesta/ # copiamos a nuestro $HOME los resultados</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cp * $HOME/siesta/ # copiamos a nuestro $HOME los resultados</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cd $HOME/siesta/</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>cd $HOME/siesta/</div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">&lt;/pre></ins></div></td></tr> <tr><td colspan="2" class="diff-side-deleted"></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;"></ins></div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Al terminar la ejecución [https://wiki.nlhpc.cl/SISTEMA_GESTOR_DE_RECURSOS#SLURM_Workload_Manager Slurm] elimina todos los archivos del usuario en /tmp</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>Al terminar la ejecución [https://wiki.nlhpc.cl/SISTEMA_GESTOR_DE_RECURSOS#SLURM_Workload_Manager Slurm] elimina todos los archivos del usuario en /tmp</div></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> </table>

Eosorio https://wiki.nlhpc.cl/index.php?title=Siesta&diff=323&oldid=prev 2022-08-30T20:38:44Z

<p><span dir="auto"><span class="autocomment">Referencias</span></span></p> <table style="background-color: #fff; color: #202122;" data-mw="interface"> <col class="diff-marker" /> <col class="diff-content" /> <col class="diff-marker" /> <col class="diff-content" /> <tr class="diff-title" lang="es"> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">← Revisión anterior</td> <td colspan="2" style="background-color: #fff; color: #202122; text-align: center;">Revisión del 20:38 30 ago 2022</td> </tr><tr><td colspan="2" class="diff-lineno" id="mw-diff-left-l37">Línea 37:</td> <td colspan="2" class="diff-lineno">Línea 37:</td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><br/></td></tr> <tr><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Referencias ==</div></td><td class="diff-marker"></td><td style="background-color: #f8f9fa; color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #eaecf0; vertical-align: top; white-space: pre-wrap;"><div>== Referencias ==</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[https://cfd.direct/openfoam/linux-guide/ Siesta Web Page]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">* </ins>[https://cfd.direct/openfoam/linux-guide/ Siesta Web Page]</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[https://wiki.rc.usf.edu/index.php/SIESTA#Submitting_Jobs Submitting Jobs]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">* </ins>[https://wiki.rc.usf.edu/index.php/SIESTA#Submitting_Jobs Submitting Jobs]</div></td></tr> <tr><td class="diff-marker" data-marker="−"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #ffe49c; vertical-align: top; white-space: pre-wrap;"><div>[http://hpc.mediawiki.hull.ac.uk/Applications/Siesta hpc.mediawiki.hull.ac.uk/Applications/Siesta]</div></td><td class="diff-marker" data-marker="+"></td><td style="color: #202122; font-size: 88%; border-style: solid; border-width: 1px 1px 1px 4px; border-radius: 0.33em; border-color: #a3d3ff; vertical-align: top; white-space: pre-wrap;"><div><ins style="font-weight: bold; text-decoration: none;">* </ins>[http://hpc.mediawiki.hull.ac.uk/Applications/Siesta hpc.mediawiki.hull.ac.uk/Applications/Siesta]</div></td></tr> </table>

Administrador https://wiki.nlhpc.cl/index.php?title=Siesta&diff=322&oldid=prev 2022-08-30T20:38:27Z

<p>Página creada con «== ¿Qué es? == SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) es un método original y una implementación de software para efectuar cálc…»</p> <p><b>Página nueva</b></p><div>== ¿Qué es? ==<br /> SIESTA (Spanish Initiative for Electronic Simulations with Thousands of Atoms) es un método original y una implementación de software para efectuar cálculos de estructura electrónica y simulaciones de dinámica molecular ab initio para moléculas y sólidos.<br /> <br /> == Modulos ==<br /> Se encuentra disponible en:<br /> <br /> === [https://wiki.nlhpc.cl/Environment_Modules Environment Modules] ===<br /> * siesta/3.2<br /> * siesta/4.0<br /> * siesta/trunk-462<br /> * siesta/trunk-663<br /> == Ejemplo de Lanzador ==<br /> Ejemplo de SBATCH para enviar al cluster:<br /> &lt;pre&gt;<br /> #!/bin/bash<br /> #SBATCH --job-name=&quot;siesta&quot;<br /> #SBATCH --partition=&quot;slims&quot;<br /> #SBATCH --nodes=6 # lo máximo seria 6, lo mínimo 1<br /> #SBATCH --ntasks-per-node=20 # ocuparía 120 cores en total<br /> #SBATCH --mem-per-cpu=2300<br /> #SBATCH --output=%x_%j.out<br /> #SBATCH --error=%x_%j.err<br /> #SBATCH --exclude=cnf[001-004]<br /> <br /> module load siesta/trunk-663<br /> export OMP_NUM_THREADS=1<br /> <br /> DTMP=&quot;/tmp/${SLURM_JOB_ID}&quot; # recomendamos siempre trabajar en el /tmp del nodo local (al menos 200G disponibles en slims)<br /> mkdir $DTMP # creamos el directorio<br /> cp ejemplo.fdf *psf *DM $DTMP # copiamos los archivos fuente hacia /tmp<br /> &lt;/pre&gt;<br /> cd $DTMP # entramos al directorio<br /> srun siesta &lt; ejemplo.fdf # la salida del programa queda en el archivo de log<br /> cp * $HOME/siesta/ # copiamos a nuestro $HOME los resultados<br /> cd $HOME/siesta/<br /> Al terminar la ejecución [https://wiki.nlhpc.cl/SISTEMA_GESTOR_DE_RECURSOS#SLURM_Workload_Manager Slurm] elimina todos los archivos del usuario en /tmp<br /> <br /> == Referencias ==<br /> [https://cfd.direct/openfoam/linux-guide/ Siesta Web Page]<br /> [https://wiki.rc.usf.edu/index.php/SIESTA#Submitting_Jobs Submitting Jobs]<br /> [http://hpc.mediawiki.hull.ac.uk/Applications/Siesta hpc.mediawiki.hull.ac.uk/Applications/Siesta]</div>

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