ADF
ADF is available on the following servers.
important
ADF will be available only to authorized users.Please contact us if you would like to use ADF.
Large-Scale Parallel Computing Server
Available executables
| Version | Settings |
|---|---|
| 2017.113 | module load adf/2017.113 |
| 2018.105 | module load adf/2018.105 |
| 2019.102 | module load adf/2019.102 |
| 2019.304 | module load adf/2019.304 |
| 2020.101 | module load adf/2020.101 |
| 2021.102 | module load adf/2021.102 |
| 2021.106 | module load adf/2021.106 |
| 2022.103 | module load adf/2022.103 |
| 2023.103 | module load adf |
Create a script file in advance.
・execute from input file (between versions 2017.113 and 2019.304).
#!/bin/sh #PBS -l select=nodes #PBS -l adf=MPI total tasks #PBS -q queue #PBS -N jobname module load adf/VERSION DIRNAME=`basename $PBS_O_WORKDIR` WORKDIR=/work/$USER/$PBS_JOBID mkdir -p $WORKDIR cp -raf $PBS_O_WORKDIR $WORKDIR cd $WORKDIR/$DIRNAME adf -n MPI total tasks < input file > output file 2> error file cd; if cp -raf $WORKDIR/$DIRNAME $PBS_O_WORKDIR/.. ; then rm -rf $WORKDIR; fi
Example (version 2019.304)
#!/bin/sh #PBS -l select=1 #PBS -l adf=32 #PBS -q P_016 #PBS -N adf module load adf/2019.304 DIRNAME=`basename $PBS_O_WORKDIR` WORKDIR=/work/$USER/$PBS_JOBID mkdir -p $WORKDIR cp -raf $PBS_O_WORKDIR $WORKDIR cd $WORKDIR/$DIRNAME adf -n 32 < in > adf.out 2> adf.err cd; if cp -raf $WORKDIR/$DIRNAME $PBS_O_WORKDIR/.. ; then rm -rf $WORKDIR; fi
・execute from input file (between versions 2020.101 and 2023.103).
#!/bin/sh #PBS -l select=nodes #PBS -l adf=MPI total tasks #PBS -q queue #PBS -N jobname module load adf/VERSION DIRNAME=`basename $PBS_O_WORKDIR` WORKDIR=/work/$USER/$PBS_JOBID mkdir -p $WORKDIR cp -raf $PBS_O_WORKDIR $WORKDIR cd $WORKDIR/$DIRNAME ams -n MPI total tasks < input file > output file 2> error file cd; if cp -raf $WORKDIR/$DIRNAME $PBS_O_WORKDIR/.. ; then rm -rf $WORKDIR; fi
Example (version 2023.103)
#!/bin/sh #PBS -l select=1 #PBS -l adf=32 #PBS -q P_016 #PBS -N adf module load adf DIRNAME=`basename $PBS_O_WORKDIR` WORKDIR=/work/$USER/$PBS_JOBID mkdir -p $WORKDIR cp -raf $PBS_O_WORKDIR $WORKDIR cd $WORKDIR/$DIRNAME ams -n 32 < in > adf.out 2> adf.err cd; if cp -raf $WORKDIR/$DIRNAME $PBS_O_WORKDIR/.. ; then rm -rf $WORKDIR; fi
Specify MPI tasks as 64 or less.
Option -l adf is mandatory.
・execute from run-script.
#!/bin/sh #PBS -l select=nodes #PBS -l adf=MPI total tasks #PBS -q queue #PBS -N jobname module load adf DIRNAME=`basename $PBS_O_WORKDIR` WORKDIR=/work/$USER/$PBS_JOBID mkdir -p $WORKDIR cp -raf $PBS_O_WORKDIR $WORKDIR cd $WORKDIR/$DIRNAME export NSCM=MPI total tasks ./run-script > output file 2> error file cd; if cp -raf $WORKDIR/$DIRNAME $PBS_O_WORKDIR/.. ; then rm -rf $WORKDIR; fi
Example)
#!/bin/sh #PBS -l select=1 #PBS -l adf=32 #PBS -q P_016 #PBS -N adf module load adf DIRNAME=`basename $PBS_O_WORKDIR` WORKDIR=/work/$USER/$PBS_JOBID mkdir -p $WORKDIR cp -raf $PBS_O_WORKDIR $WORKDIR cd $WORKDIR/$DIRNAME export NSCM=32 ./H2O_HF_freq.run > adf.out 2> adf.err cd; if cp -raf $WORKDIR/$DIRNAME $PBS_O_WORKDIR/.. ; then rm -rf $WORKDIR; fi
Specify MPI tasks as 64 or less.
Option -l adf is mandatory.