This section lists some typical and important Moab+Slurm directives accepted or unadvised. For a general overview of Maob+Slurm, please visit http://www.clusterresources.com/products/mwm/docs/index.shtml
# @ job_name = <name of the job>
Sets the name of the job.
# @ output = <output file>
Sets the file where stdout will be fetched.
# @ error = <error file>
Idem than output but with stderr.
# @ total_tasks = <number of tasks>
Sets number of tasks.
# @ tasks_per_node = <number of cores>
Sets number of tasks within each node.
# @ wall_clock_limit = <HH:MM:SS>
Sets the maximum execution time in hours, minutes and seconds
This section describes some Moab+Slurm Directives particular to MareNostrum at BSC. For more information, please visit the corresponding documentation at BSC.
# @ job_name = MyJob
# @ initialdir = .
# @ output = MyModel/output.%j.out
# @ error = MyModel/output.%j.err
# @ total_tasks = 128
# @ cpus_per_task = 4
# @ tasks_per_node = 1
# @ wall_clock_time = 06:00:00
module load deisa cpmd
cp $DEISA_HOME/MyModel/CPMD/* .
srun $CPMD input.in > cpmd.out
cp * $DEISA_HOME/MyModel/CPMD