Commit 0c9d5ee4 authored by s032082's avatar s032082

Corrected more sl_diagonalize=m,n,k,'d' -> sl_diagonalize=m,n,k

parent 0ab8528b
......@@ -14,4 +14,4 @@ module add openmpi/1.2.6/gcc
gpawhome=${HOME}/gpaw
export PYTHONPATH=${gpawhome}:${PYTHONPATH}
mpiexec ${gpawhome}/build/bin.linux-x86_64-2.4/gpaw-python ../b256H2O.py --sl_diagonalize=4,4,64,8 --gpaw=usenewlfc=1
mpiexec ${gpawhome}/build/bin.linux-x86_64-2.4/gpaw-python ../b256H2O.py --sl_diagonalize=4,4,64 --gpaw=usenewlfc=1
......@@ -21,4 +21,4 @@ cp $input $scratch/$job
# cp $pos $scratch/$job
cd $scratch/$job
qsub -A $acct -n $nodes -t $time -q $queue --mode $mode --env BG_MAPPING=$mapping:MPIRUN_ENABLE_TTY_REPORTING=0:OMP_NUM_THREADS=1:GPAW_SETUP_PATH=$GPAW_SETUP_PATH:PYTHONPATH=${install}/gpaw-r6000:${install}/ase-r1428:$PYTHONPATH:LD_LIBRARY_PATH=$CN_LD_LIBRARY_PATH ${install}/gpaw-r6000/build/bin.linux-ppc64-2.6/gpaw-python ${type}.py --domain-decomposition=4,4,4 --state-parallelization=1 --sl_diagonalize=4,4,64,4
qsub -A $acct -n $nodes -t $time -q $queue --mode $mode --env BG_MAPPING=$mapping:MPIRUN_ENABLE_TTY_REPORTING=0:OMP_NUM_THREADS=1:GPAW_SETUP_PATH=$GPAW_SETUP_PATH:PYTHONPATH=${install}/gpaw-r6000:${install}/ase-r1428:$PYTHONPATH:LD_LIBRARY_PATH=$CN_LD_LIBRARY_PATH ${install}/gpaw-r6000/build/bin.linux-ppc64-2.6/gpaw-python ${type}.py --domain-decomposition=4,4,4 --state-parallelization=1 --sl_diagonalize=4,4,64
......@@ -14,4 +14,4 @@ module add openmpi/1.2.6/gcc
gpawhome=${HOME}/gpaw
export PYTHONPATH=${gpawhome}:${PYTHONPATH}
mpiexec ${gpawhome}/build/bin.linux-x86_64-2.4/gpaw-python ../Au_cluster.py --sl_diagonalize=5,5,64,8 --gpaw=usenewlfc=1
mpiexec ${gpawhome}/build/bin.linux-x86_64-2.4/gpaw-python ../Au_cluster.py --sl_diagonalize=5,5,64 --gpaw=usenewlfc=1
......@@ -21,4 +21,4 @@ cp $input $scratch/$job
cp $pos $scratch/$job
cd $scratch/$job
qsub -A $acct -n $nodes -t $time -q $queue --mode $mode --env BG_MAPPING=$mapping:MPIRUN_ENABLE_TTY_REPORTING=0:OMP_NUM_THREADS=1:GPAW_SETUP_PATH=$GPAW_SETUP_PATH:PYTHONPATH=${install}/gpaw-r6000:${install}/ase-r1438:$PYTHONPATH:LD_LIBRARY_PATH=$CN_LD_LIBRARY_PATH ${install}/gpaw-r6000/build/bin.linux-ppc64-2.6/gpaw-python ${type}.py --domain-decomposition=8,8,8 --state-parallelization=4 --sl_diagonalize=5,5,64,4
qsub -A $acct -n $nodes -t $time -q $queue --mode $mode --env BG_MAPPING=$mapping:MPIRUN_ENABLE_TTY_REPORTING=0:OMP_NUM_THREADS=1:GPAW_SETUP_PATH=$GPAW_SETUP_PATH:PYTHONPATH=${install}/gpaw-r6000:${install}/ase-r1438:$PYTHONPATH:LD_LIBRARY_PATH=$CN_LD_LIBRARY_PATH ${install}/gpaw-r6000/build/bin.linux-ppc64-2.6/gpaw-python ${type}.py --domain-decomposition=8,8,8 --state-parallelization=4 --sl_diagonalize=5,5,64
......@@ -18,7 +18,7 @@ dir=/gpfs/fs2/frontend-13/$USER
home=$dir
prog=${home}/gpaw/build/bin.linux-ppc64-2.5/gpaw-python
#prog=/bgsys/drivers/ppcfloor/gnu-linux/bin/python
args="${home}/gpaw/test/CH4.py --sl_diagonalize=2,2,2,4"
args="${home}/gpaw/test/CH4.py --sl_diagonalize=2,2,2"
ldpath="${ldpath}:/bgsys/opt/ibmcmp/lib/bg"
ldpath="${ldpath}:/bgsys/drivers/ppcfloor/gnu-linux/powerpc-bgp-linux/lib"
......
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