ADF
===================================

.. attention::

   ADF is available for users affiliated with Tohoku University. If you would like to use ADF, contact our `center <https://www.sc.imr.tohoku.ac.jp/eng/contact.html>`_.

Following version is available. 

.. csv-table:: Large-scale Parallel Computing Server
   :header: "version", "module","execution queue"
   :widths: 20, 79, 1

   "2025.102", "/work/app/ADF/ams2025.102", "CP_001 DP_002"


- Job Submission Script

.. code-block :: none

   #!/bin/sh 
   #PBS -l select=1[ncpus=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 (ncpus and NSCM）as 32 or less.

- Example

.. code-block :: none

   #!/bin/sh
   #PBS -l select=1:ncpus=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