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 Environment Modules
DO NOT FORGET to always set a suitable scratch directory:
bash:
tcsh:
bash:
export DALTON_TMPDIR=/scratch/<cluster>/login/ tcsh:
setenv DALTON_TMPDIR /scratch/<cluster>/login/
Dalton is build with hybrid OpenMP/OpenMPI, so :
bash:
or
bash:
bash:
export OMP_NUM_THREADS=$NSLOTS if running on ONE node or
bash:
export OMP_NUM_THREADS=1 if running on several nodes