def sherlockQGPAW(timeInHours):
return {
'_fw_name':
'CommonAdapter',
'_fw_q_type':
'SLURM',
'rocket_launch':
'cd /scratch/users/ksb/fireworks;rlaunch singleshot',
'nodes':
1,
'ntasks_per_node':
16,
'walltime':
pp.printTime(timeInHours) + ':00',
'queue':
'owners,iric,normal',
'pre_rocket':
';'.join([
"source /scratch/PI/suncat/sw/env.bash",
"source ~/scripts/rc/RCsher.sh", "export OMP_NUM_THREADS=1",
"export PYTHONPATH=/scratch/users/ksb/gpaw/ggafirst/install/lib/python2.7/site-packages:/scratch/users/ksb/gpaw/gpaw_sg15/lib/python2.7/site-packages:$PYTHONPATH",
"export PATH=/scratch/users/ksb/gpaw/ggafirst/install/bin:$PATH",
"export GPAW_SETUP_PATH=/scratch/users/ksb/gpaw/gpaw_sg15/norm_conserving_setups"
]),
'logdir':
'/scratch/users/ksb/fireworks/logs/'
}
def sherlockHeader(t):
return multiLine([
'#SBATCH -p iric', '#SBATCH -x gpu-14-1,sh-20-35',
'#SBATCH --job-name=myjob', '#SBATCH --output=myjob.out',
'#SBATCH --error=myjob.err', '#SBATCH --time={0}:00'.format(
printTime(t)), '#SBATCH --qos=iric', '#SBATCH --nodes=1',
'#SBATCH --mem-per-cpu=4000', '#SBATCH --mail-type=END,FAIL',
'#SBATCH [email protected]',
'#SBATCH --ntasks-per-node=16\n'
])
def sherlockTestQ(timeInHours):
return {
'_fw_name': 'CommonAdapter',
'_fw_q_type': 'SLURM',
'rocket_launch':
'/scratch/PI/suncat/sw/lib/python2.7/site-packages/FireWorks-1.4.8-py2.7.egg/fireworks/scripts/rlaunch_run.py -w $SCRATCH/fireworks/my_fworker.yaml -l $SCRATCH/fireworks/my_launchpad.yaml singleshot',
'nodes': 1,
'ntasks_per_node': 16,
'walltime': printTime(timeInHours) + ':00',
'queue': 'owners,iric,normal',
'pre_rocket': 'source /scratch/PI/suncat/sw/env.bash' #
,
'logdir': '/scratch/users/ksb/fireworks/logs/'
}
def suncatTQ(timeInHours):
return {
'_fw_name': 'CommonAdapter',
'_fw_q_type': 'LoadSharingFacility',
'rocket_launch':
'python /nfs/slac/g/suncatfs/ksb/fireworks/fireworks_virtualenv/lib/python2.7/site-packages/fireworks/scripts/rlaunch_run.py -w /nfs/slac/g/suncatfs/${USER}/fireworks/my_fworker.yaml -l /nfs/slac/g/suncatfs/${USER}/fireworks/my_launchpad.yaml singleshot',
'nodes': 1,
'ntasks_per_node': 8,
'walltime': printTime(timeInHours),
'queue': 'suncat-test',
'pre_rocket':
'unset LS_COLORS;source /nfs/slac/g/suncatfs/sw/espv20/setupenv;setenv PYTHONPATH /nfs/slac/g/suncatfs/${USER}/fireworks/fireworks_virtualenv/lib/python2.7/site-packages:/nfs/slac/g/suncatfs/fireworks_scripts/standard_tasks/:${PYTHONPATH};setenv PATH /afs/slac.stanford.edu/package/lsf/9.1.2/linux2.6-glibc2.3-x86_64/bin:${PATH}',
'logdir': '/nfs/slac/g/suncatfs/ksb/fireworks/logs/'
}
def sherlockQ(timeInHours):
return {
'_fw_name': 'CommonAdapter',
'_fw_q_type': 'SLURM',
'rocket_launch':
'python $SCRATCH/fireworks/fireworks_virtualenv/lib/python2.7/site-packages/fireworks/scripts/rlaunch_run.py -w $SCRATCH/fireworks/my_fworker.yaml -l $SCRATCH/fireworks/my_launchpad.yaml singleshot',
'nodes': 1,
'ntasks_per_node': 16,
'walltime': printTime(timeInHours) + ':00',
'queue': 'owners,iric,normal',
'pre_rocket':
'export PATH=$PATH:$SCRATCH/fireworks/fireworks_virtualenv/bin/;export PATH=/home/vossj/suncat/bin:$PATH',
'logdir': '/scratch/users/ksb/fireworks/logs/'
}
def sherlockQGPAW(timeInHours):
return {
'_fw_name':
'CommonAdapter',
'_fw_q_type':
'SLURM',
'rocket_launch':
'python $SCRATCH/fireworks/fireworks_env/lib/python2.7/site-packages/fireworks/scripts/rlaunch_run.py -w $SCRATCH/fireworks/my_fworker.yaml -l $SCRATCH/fireworks/my_launchpad.yaml singleshot',
'nodes':
1,
'ntasks_per_node':
16,
'walltime':
printTime(timeInHours) + ':00',
'queue':
'owners,iric,normal',
'pre_rocket':
'export PATH=$PATH:$SCRATCH/fireworks/fireworks_env/bin/;source /scratch/PI/suncat/sw/env.bash;export OMP_NUM_THREADS=1;export PYTHONPATH=/scratch/users/ksb/gpaw/gpaw_sg15/lib/python2.7/site-packages:$PYTHONPATH;export PATH=/scratch/users/ksb/gpaw/gpaw_sg15/bin:$PATH;export GPAW_SETUP_PATH=/scratch/users/ksb/gpaw/gpaw_sg15/norm_conserving_setups' #
,
'logdir':
'/scratch/users/ksb/fireworks/logs/'
}
"NTASKS=`echo $SLURM_TASKS_PER_NODE|tr '(' ' '|awk '{print $1}'`",
"NNODES=`scontrol show hostnames $SLURM_JOB_NODELIST|wc -l`",
'NCPU=`echo " $NTASKS * $NNODES " | bc`', 'echo "$NCPU"',
"#load gpaw-specific paths",
"source /scratch/users/ksb/gpaw/paths.bash", 'echo "$1"',
"#run parallel gpaw",
"mpirun -n $NCPU gpaw-python sherlock_opt.py\n"
]) if job.dftCode == 'gpaw' else self.runFile)
sherlock = Cluster(
'sherlock', lambda t: multiLine([
'#SBATCH -p iric', '#SBATCH -x gpu-14-1,sh-20-35',
'#SBATCH --job-name=myjob', '#SBATCH --output=myjob.out',
'#SBATCH --error=myjob.err', '#SBATCH --time={0}:00'.format(
printTime(t)), '#SBATCH --qos=iric', '#SBATCH --nodes=1',
'#SBATCH --mem-per-cpu=4000', '#SBATCH --mail-type=END,FAIL',
'#SBATCH [email protected]',
'#SBATCH --ntasks-per-node=16\n'
]), "sbatch sherlock_opt.py\n", "/scratch/users/ksb/auto",
"/scratch/users/ksb/autoResult", '#!/scratch/PI/suncat/sw/bin/python',
lambda x: 'TIMEOUT' in x, lambda x: 'Did not converge' in x,
lambda x: 'IndexError' in x, 'myjob.err')
suncat2 = Cluster(
'suncat2', lambda t: multiLine([
'#!/usr/bin/env python', '#LSF -q suncat2', '#LSF -n 12', '#LSF -W {0}'
.format(printTime(t)), '#LSF -o opt.log', '#LSF -e err.log',
'#LSF -sp 90', '#LSF -N\n'
]), "esp-ver-bsub 20 python suncat2_opt.py\n", "/a/suncatfs1/u1/ksb/auto",
"/a/suncatfs1/u1/ksb/autoResult", "#!/usr/bin/env python",
