5.10. ADF¶
Attention
ADF is available for users affiliated with Tohoku University. If you would like to use ADF, contact our center.
Following version is available.
version |
module |
execution queue |
|---|---|---|
2025.102 |
/work/app/ADF/ams2025.102 |
CP_001 DP_002 |
2025.105 |
/work/app/ADF/ams2025.105 |
CP_001 DP_002 |
Job Submission Script
#!/bin/sh
#PBS -l select=1[:ncpus=MPI total tasks][:mem=amount of memory]
#PBS -l adf=[MPI total tasks]
#PBS -q queue
#PBS -N jobname
source /work/app/ADF/ams2025.102/amsbashrc.sh
export SCMLICENSE=/work/app/ADF/FloatADF/license.txt
export SCM_NODOMAINCHECK=yes
export SCM_USE_IMPI_2021=1
cd $PBS_O_WORKDIR
export NSCM=[MPI total tasks]
./run script > output file 2> error file
Attention
Specify MPI tasks (-l adf, ncpus, and NSCM) as 32 or less.
Option -l adf is mandatory.
Example (version 2025.102)
#!/bin/sh
#PBS -l select=1:ncpus=16:mem=64gb
#PBS -l adf=16
#PBS -q CP_001
#PBS -N adf
source /work/app/ADF/ams2025.102/amsbashrc.sh
export SCMLICENSE=/work/app/ADF/FloatADF/license.txt
export SCM_NODOMAINCHECK=yes
export SCM_USE_IMPI_2021=1
cd $PBS_O_WORKDIR
export NSCM=16
./H2O_HF_freq.run > adf.out 2> adf.err