job for Antares3
#!/bin/bash
#
#$ -cwd
#$ -j y
#$ -S /bin/bash
#$ -pe orte 24
. /share/apps/intel/bin/ifortvars.sh intel64
. /share/apps/intel/impi/4.0.3.008/bin64/mpivars.sh
/share/apps/intel/impi/4.0.3.008/bin64/mpiexec.hydra -bootstrap sge /share/apps/SIESTA/3.1/siesta < Au411.fdf
No comments:
Post a Comment