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",