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guide:moab [2013/07/18 16:40] ischeepers [BlueGene/P CLUSTER] |
guide:moab [2021/12/09 16:42] (current) |
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| Line 70: | Line 70: | ||
| Edit the file with, for example, | Edit the file with, for example, | ||
| - | + | <file bash mpi.job> | |
| - | #/bin/sh | + | #/bin/sh |
| - | #MSUB -l nodes=1: | + | #MSUB -l nodes=1: |
| - | #MSUB -l feature=nehalem|harpertown | + | #MSUB -l feature=nehalem|harpertown |
| - | #MSUB -l walltime=3: | + | #MSUB -l walltime=3: |
| - | #MSUB -m be | + | #MSUB -m be |
| - | #MSUB -V | + | #MSUB -V |
| - | #MSUB -o / | + | #MSUB -o / |
| - | #MSUB -e / | + | #MSUB -e / |
| - | #MSUB -d / | + | #MSUB -d / |
| - | #MSUB -mb | + | #MSUB -mb |
| - | ##### Running commands | + | ##### Running commands |
| - | exe=/ | + | exe=/ |
| - | nproc=`cat $PBS_NODEFILE | wc -l` | + | nproc=`cat $PBS_NODEFILE | wc -l` |
| - | mpirun -np $nproc -machinefile $PBS_NODEFILE $exe > users.out | + | mpirun -np $nproc -machinefile $PBS_NODEFILE $exe > users.out |
| + | </ | ||
| Line 129: | Line 129: | ||
| Edit with '' | Edit with '' | ||
| - | + | <file bash mpi.job> | |
| - | ###These lines are for Moab | + | ###These lines are for Moab |
| - | #MSUB -l nodes=2: | + | #MSUB -l nodes=2: |
| - | #MSUB -l feature=c2070 | + | #MSUB -l feature=c2070 |
| - | #MSUB -l walltime=168: | + | #MSUB -l walltime=168: |
| - | #MSUB -m be | + | #MSUB -m be |
| - | #MSUB -V | + | #MSUB -V |
| - | #MSUB -o / | + | #MSUB -o / |
| - | #MSUB -e / | + | #MSUB -e / |
| - | #MSUB -d / | + | #MSUB -d / |
| - | #MSUB -mb | + | #MSUB -mb |
| - | ##### Running commands | + | ##### Running commands |
| - | echo " | + | echo " |
| - | echo " | + | echo " |
| - | cat $PBS_NODEFILE | + | cat $PBS_NODEFILE |
| - | echo " | + | echo " |
| - | cat $PBS_NODEFILE|sed -e ' | + | cat $PBS_NODEFILE|sed -e ' |
| - | echo " | + | echo " |
| - | echo " | + | echo " |
| - | cat $PBS_STEP_OUT.hostfile | + | cat $PBS_STEP_OUT.hostfile |
| - | exe=location of the executable | + | exe=location of the executable |
| - | nproc=`cat $PBS_NODEFILE | wc -l` | + | nproc=`cat $PBS_NODEFILE | wc -l` |
| - | cd / | + | cd / |
| - | mpirun $nproc $exe > / | + | mpirun $nproc $exe > / |
| + | </ | ||
| Line 171: | Line 171: | ||
| The '' | The '' | ||
| - | + | <file bash mpi.job> | |
| - | ###These lines are for Moab | + | ###These lines are for Moab |
| - | #MSUB -l ppn=128 | + | #MSUB -l ppn=128 |
| - | #MSUB -l walltime=168: | + | #MSUB -l walltime=168: |
| - | #MSUB -m be | + | #MSUB -m be |
| - | #MSUB -V | + | #MSUB -V |
| - | #MSUB -o / | + | #MSUB -o / |
| - | #MSUB -e / | + | #MSUB -e / |
| - | #MSUB -d / | + | #MSUB -d / |
| - | #MSUB -mb | + | #MSUB -mb |
| - | ##### Running commands | + | ##### Running commands |
| - | / | + | / |
| - | -mode VN -exe LOCATIONOFTHEEXECUTABLE | + | -mode VN -exe LOCATIONOFTHEEXECUTABLE |
| - | + | </ | |
| - | + | ||
| As before, use '' | As before, use '' | ||
| Line 204: | Line 202: | ||
| To get the definitions, | To get the definitions, | ||
| - | + | <file bash job.msub> | |
| - | ###These lines are for Moab | + | ###These lines are for Moab |
| - | #MSUB -l nodes=4: | + | #MSUB -l nodes=4: |
| - | #MSUB -l walltime=2: | + | #MSUB -l walltime=2: |
| - | #MSUB -m be | + | #MSUB -m be |
| - | #MSUB -o / | + | #MSUB -o / |
| - | #MSUB -e / | + | #MSUB -e / |
| - | #MSUB -d / | + | #MSUB -d / |
| - | #MSUB -mb | + | #MSUB -mb |
| - | #MSUB -M nmonama@csir.co.za | + | #MSUB -M nmonama@csir.co.za |
| | | ||
| - | | + | ##### Running commands |
| - | NP=`cat $PBS_NODEFILE | wc –l` | + | NP=`cat $PBS_NODEFILE | wc –l` |
| - | mpirun –np $NP –machinefile $PBS_NODEFILE DLPOLY_3.07.SPARC.Y | + | mpirun –np $NP –machinefile $PBS_NODEFILE DLPOLY_3.07.SPARC.Y |
| + | </ | ||
| Details of each line of the job script: | Details of each line of the job script: | ||
| Line 259: | Line 257: | ||
| ^ showres | Show existing reservations | | ^ showres | Show existing reservations | | ||
| ^ showstart | Show estimate of when job can or will start | | ^ showstart | Show estimate of when job can or will start | | ||
| - | ^ Checkjob | + | ^ checkjob |
| | | ||