ADF

Accès réservé aux utilisateurs autorisés

Version Compilateur chemin d'accès OS
2017.103 N/A /applis/PSMN/generic/adf/adf2017.103/ Generic
modulefile : ADF/2017.103
2016.103 N/A /applis/PSMN/generic/adf/adf2016.103/ Generic
modulefile : ADF/2016.103
2014.11 N/A /applis/PSMN/generic/adf/adf2014.11/ Generic
modulefile : ADF/2014.11
2014.10 N/A /applis/PSMN/generic/adf/adf2014.10/ Generic
modulefile : ADF/2014.10
2014.02 N/A /applis/PSMN/generic/adf/adf2014.02/ Generic + cuda
modulefile : ADF/2014.02
2013.01 N/A /applis/PSMN/generic/adf/adf2013.01/generic Generic
modulefile : ADF/2013.01

Pour utiliser les modulefiles, consulter Environment Modules

:!: Bug affectant les versions 2013.* jusqu'à 2016.* :?:
Vous devez copier $ADFRESOURCES/ dans $HOME/atomicdata (~320Mo)

Exemples

#!/bin/bash
#$ -S /bin/bash
#$ -N adf2016.103
#$ -q E5-2670deb128A
#$ -pe mpi16_debian 16
#$ -cwd
#$ -V
 
# env first
source /usr/share/lmod/lmod/init/bash
module load ADF/2016.103
export SCMLICENCE=/applis/PSMN/generic/adf/license.txt
# without CUDA support, change to TRUE when using cuda-enabled adf
export SCM_GPUENABLED="FALSE"
 
DATADIR=${SGE_O_WORKDIR}
export SCM_TMPDIR=${SGE_O_WORKDIR}
# or use /scratch for scratchdir
#export SCM_TMPDIR=/scratch/yourlogin
 
# declaration used by the batch system
HOSTFILE=$TMPDIR/machines
export SCM_MACHINEFILE=$TMPDIR/machines
export NSCM=$NSLOTS
export ADFRESOURCES=$HOME/atomicdata
#
cd ${DATADIR}
# debug
#env
#ldd ${ADFBIN}/adf.exe
#which mpirun
#
${ADFBIN}/adf < ${DATADIR}/H2O.run
 
#
documentation/tools/software/adf.txt · Dernière modification: 2020/08/25 17:58 (modification externe)