| Les deux révisions précédentesRévision précédenteProchaine révision | Révision précédente |
| documentation:tools:software:dalton [2016/01/07 09:49] – [Dalton / LSDalton] ltaulell | documentation:tools:software:dalton [2021/04/14 15:35] (Version actuelle) – [Dalton] ltaulell |
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| ====== Dalton / LSDalton ====== | ====== Dalton ====== |
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| * Dalton | * Dalton |
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| ^ Version ^ Compilateur ^ Interconnexion ^ chemin d'accès ^ OS ^ | ^ Version ^ Compilateur ^ Interconnexion ^ chemin d'accès ^ OS ^ |
| | 2016.0 | openmpi 1.4.5 / gcc 4.7.2 | Infiniband | /applis/PSMN/debian7/Dalton/2016.0/full-debian7/dalton/ | Debian 7 | | | 2020.0 | openmpi 2.0.2 / gcc 6.3.0 | Infiniband | /applis/PSMN/debian9/software/Local/Dalton/2020.0/full-debian9 | Debian 9 | |
| | | **modulefile** : Dalton/2016.0 |||| | | | 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 | |
| * LSDalton | | | module load Dalton/2018.2-full-debian9 |||| |
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| ^ Version ^ Compilateur ^ Interconnexion ^ chemin d'accès ^ OS ^ | |
| | 2016.0 | openmpi 1.4.5 / gcc 4.7.2 | Infiniband | /applis/PSMN/debian7/Dalton/2016.0/full-debian7/lsdalton/ | Debian 7 | | |
| | | **modulefile** : LSDalton/2016.0 |||| | |
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| Pour utiliser les modules, consulter [[documentation:tools:modules|Environment Modules]] | Pour utiliser les modules, consulter [[documentation:tools:modules|Environment Modules]] |
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| <note important> | <note important> |
| **DO NOT FORGET** to always set a suitable scratch directory: \\ | **DO NOT FORGET** to __always__ set a suitable scratch directory: \\ |
| ''export DALTON_TMPDIR=/scratch/login/'' | bash: ''export DALTON_TMPDIR=/scratch/<cluster>/login/'' \\ |
| | tcsh: ''setenv DALTON_TMPDIR /scratch/<cluster>/login/'' |
| </note> | </note> |
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| <note important> | <note important> |
| Dalton/LSDalton is Hybrid OpenMP/MPI, so : \\ | Dalton is build with **hybrid OpenMP/OpenMPI**, so : \\ |
| ''export OMP_NUM_THREADS=$NSLOTS'' if running on ONE node \\ | bash: ''export OMP_NUM_THREADS=$NSLOTS'' if running on ONE node \\ |
| or \\ | or \\ |
| ''export OMP_NUM_THREADS=1'' if running on several nodes \\ | bash: ''export OMP_NUM_THREADS=1'' if running on several nodes \\ |
| </note> | </note> |
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| * http://www.daltonprogram.org/index.html | * http://www.daltonprogram.org/index.html |
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