QUEUES for CARLES BO group: Difference between revisions
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New page: == SENDING CALCULATIONS: == qs TYPE_OF_CALCULATION inputfile.in where TYPE_OF_CALCULATION can be: g09.c8m24 (8 cores smp pe) g09.cq4m4 (4 cores smp pe) g09.c4m8 (4 co... |
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go back to [[Main_Page]], [[Computational Resources]], [[Clusters]], [[Local Clusters]], [[kimik2]] | |||
== SENDING CALCULATIONS: == | == SENDING CALCULATIONS: == | ||
where | Until a 'qs' wrapper will be made you must to conform a .sub script manually and send it using 'qsub' command. | ||
Below these lines you have an example of .sub script where you must substitute the bold variables: | |||
---- | |||
''''$JOBNAME'''' identify the job in the cluster queue. | |||
''''$QUEUE_NAME'''' identify the queue where you are sending the calculation | |||
* qconf -sql | |||
''''$PE_NAME''''' identify the name of the Parallel Environment | |||
* qconf -sq $QUEUE_NAME | grep pe_list | |||
''''$N_PROC'''' identify the requested number of processors | |||
''''$ADFVERSION'''' identify the version of ADF that you can use | |||
* adf2007.01 | adf2008.01 | adf2009.01 | |||
''''$CALCULATION'''' paste your calculation script | |||
---- | |||
''' | #!/bin/bash | ||
#$ -N '''$JOBNAME''' | |||
#$ -cwd | |||
#$ -masterq '''$QUEUE_NAME''' | |||
#$ -pe '''$PE_NAME $N_PROC''' | |||
#Set an environment variable for the location of MPI | |||
#$ -v MPIR_HOME=/usr/local/adf2008.01/bin/hpmpi | |||
#The number of slots (CPUs) grid engine allocates | |||
#is set as the variable $NSLOTS | |||
echo "Got $NSLOTS slots." | |||
export PATH=$PATH | |||
export TMPDIR=/scratch | |||
export ADFHOME=/usr/local/'''$ADFVERSION''' | |||
export ADFBIN=$ADFHOME/bin | |||
export ADFRESOURCES=$ADFHOME/atomicdata | |||
export SCMLICENSE=$ADFHOME/license | |||
export SCM_USETMPDIR=yes | |||
export SCM_NODOMAINCHECK=yes | |||
export MPIDIR=$ADFHOME/bin/hpmpi | |||
export PATH=$PATH:$MPIDIR/bin:$TMPDIR | |||
export SCMWISH="" | |||
$ADFBIN/adf << eor | |||
'''$CALCULATION''' | |||
echo QUEUE $QUEUE | |||
echo PE $PE | |||
echo NSCM $NSCM | |||
echo $PWD | |||
cd /scratch | |||
ls -lR | |||
rm -rf * | |||
Latest revision as of 10:03, 21 September 2011
go back to Main_Page, Computational Resources, Clusters, Local Clusters, kimik2
SENDING CALCULATIONS:[edit]
Until a 'qs' wrapper will be made you must to conform a .sub script manually and send it using 'qsub' command.
Below these lines you have an example of .sub script where you must substitute the bold variables:
'$JOBNAME' identify the job in the cluster queue.
'$QUEUE_NAME' identify the queue where you are sending the calculation
- qconf -sql
'$PE_NAME identify the name of the Parallel Environment
- qconf -sq $QUEUE_NAME | grep pe_list
'$N_PROC' identify the requested number of processors
'$ADFVERSION' identify the version of ADF that you can use
- adf2007.01 | adf2008.01 | adf2009.01
'$CALCULATION' paste your calculation script
#!/bin/bash
#$ -N $JOBNAME
#$ -cwd
#$ -masterq $QUEUE_NAME
#$ -pe $PE_NAME $N_PROC
#Set an environment variable for the location of MPI
#$ -v MPIR_HOME=/usr/local/adf2008.01/bin/hpmpi
#The number of slots (CPUs) grid engine allocates
#is set as the variable $NSLOTS
echo "Got $NSLOTS slots."
export PATH=$PATH
export TMPDIR=/scratch
export ADFHOME=/usr/local/$ADFVERSION
export ADFBIN=$ADFHOME/bin
export ADFRESOURCES=$ADFHOME/atomicdata
export SCMLICENSE=$ADFHOME/license
export SCM_USETMPDIR=yes
export SCM_NODOMAINCHECK=yes
export MPIDIR=$ADFHOME/bin/hpmpi
export PATH=$PATH:$MPIDIR/bin:$TMPDIR
export SCMWISH=""
$ADFBIN/adf << eor
$CALCULATION
echo QUEUE $QUEUE
echo PE $PE
echo NSCM $NSCM
echo $PWD
cd /scratch
ls -lR
rm -rf *