====== Dalton ======


  * Dalton

^  Version  ^  Compilateur  ^  Interconnexion  ^  chemin d'accès  ^  OS  ^
|  2020.0  |  openmpi 2.0.2 / gcc 6.3.0  |  Infiniband  | /applis/PSMN/debian9/software/Local/Dalton/2020.0/full-debian9 |  Debian 9  |
| | module load Dalton/2020.0-full-debian9   ||||
|  2018.2  |  openmpi 2.0.2 / gcc 6.3.0  |  Infiniband  | /applis/PSMN/debian9/software/Local/Dalton/2018.2/full-debian9 |  Debian 9  |
| | module load Dalton/2018.2-full-debian9   ||||

Pour utiliser les modules, consulter [[documentation:tools:modules|Environment Modules]]

<note important>
**DO NOT FORGET** to __always__ set a suitable scratch directory: \\
bash: ''export DALTON_TMPDIR=/scratch/<cluster>/login/'' \\
tcsh: ''setenv DALTON_TMPDIR /scratch/<cluster>/login/''
</note>

<note important>
Dalton is build with **hybrid OpenMP/OpenMPI**, so : \\
bash: ''export OMP_NUM_THREADS=$NSLOTS'' if running on ONE node \\
or \\
bash: ''export OMP_NUM_THREADS=1'' if running on several nodes \\
</note>

===== Site officiel =====

  * http://www.daltonprogram.org/index.html