CRYSTAL17
===================================

.. csv-table:: 
   :header: "setting", "Execution queue"
   :widths: 99, 1

   "source /work/app/CRYSTAL/CRYSTAL17/utils17/cry17.bashrc", "P_030 TP_002 MP_001 CP_001 DP_002 S_001 CS_001"



- Job Submission Script

.. code-block :: none

   #!/bin/sh 
   #PBS -l select=nodes 
   #PBS -q queue
   #PBS -N jobname

   module load oneapi/2025.0.1 2> /dev/null
   source /work/app/CRYSTAL/CRYSTAL17/utils17/cry17.bashrc

   cd ${PBS_O_WORKDIR}

   runmpi17 parallel task  > output file 2> error file

- example

.. code-block :: none

   #!/bin/sh 
   #PBS -l select=1 
   #PBS -q P_030 
   #PBS -N crystal

   module load oneapi/2025.0.1 2> /dev/null
   source /work/app/CRYSTAL/CRYSTAL17/utils17/cry17.bashrc

   cd ${PBS_O_WORKDIR}

   runmpi17 112 test11 > crystal.out 2> crystal.err