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New page: #! /bin/tcsh # @ job_type = parallel # @ class = class_a # @ group = iciq08 # @ initialdir = . # @ output = OUT/ivp.$(schedd_hostname).$(jobid).$(stepid).out # @ error = OUT/ivp.$(s... |
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go back to [[Main Page]], [[Computational Resources]], [[Scripts]], [[Useful scripts]] | |||
#! /bin/tcsh | #! /bin/tcsh | ||
# @ job_type = parallel | # @ job_type = parallel | ||
| Line 11: | Line 13: | ||
# @ blocking = unlimited | # @ blocking = unlimited | ||
# @ queue | # @ queue | ||
# Define execution | # Define execution | ||
#enviroment | #enviroment | ||
setenv MP_EUILIB gm | setenv MP_EUILIB gm | ||
setenv OBJECT_MODE 64 | setenv OBJECT_MODE 64 | ||
setenv MP_RSH ssh | setenv MP_RSH ssh | ||
# Reserved nodes | # Reserved nodes | ||
setenv MLIST machine_list_$LOADL_STEP_ID | setenv MLIST machine_list_$LOADL_STEP_ID | ||
/opt/ibmll/LoadL/full/bin/ll_get_machine_list > $MLIST | /opt/ibmll/LoadL/full/bin/ll_get_machine_list > $MLIST | ||
set NPROCS=`cat ${LL_MACHINE_LIST} | wc -l` | set NPROCS=`cat ${LL_MACHINE_LIST} | wc -l` | ||
cd /gpfs/scratch/iciq08/iciq08494/$i/$j/$k | cd /gpfs/scratch/iciq08/iciq08494/$i/$j/$k | ||
# Run our program | # Run our program | ||
mpirun -np ${NPROCS} -machinefile ${LL_MACHINE_LIST} /gpfs/apps/VASP/4.6.28/bin/vasp_vtstcode | mpirun -np ${NPROCS} -machinefile ${LL_MACHINE_LIST} /gpfs/apps/VASP/4.6.28/bin/vasp_vtstcode | ||
Latest revision as of 13:17, 21 September 2010
go back to Main Page, Computational Resources, Scripts, Useful scripts
#! /bin/tcsh
# @ job_type = parallel
# @ class = class_a
# @ group = iciq08
# @ initialdir = .
# @ output = OUT/ivp.$(schedd_hostname).$(jobid).$(stepid).out
# @ error = OUT/ivp.$(schedd_hostname).$(jobid).$(stepid).err
# @ restart = no
# @ requirements = (Feature == "myrinet" )
# @ total_tasks = 32
# @ blocking = unlimited
# @ queue
# Define execution
#enviroment
setenv MP_EUILIB gm
setenv OBJECT_MODE 64
setenv MP_RSH ssh
# Reserved nodes
setenv MLIST machine_list_$LOADL_STEP_ID
/opt/ibmll/LoadL/full/bin/ll_get_machine_list > $MLIST
set NPROCS=`cat ${LL_MACHINE_LIST} | wc -l`
cd /gpfs/scratch/iciq08/iciq08494/$i/$j/$k
# Run our program
mpirun -np ${NPROCS} -machinefile ${LL_MACHINE_LIST} /gpfs/apps/VASP/4.6.28/bin/vasp_vtstcode