How to execute a MPI job
===================================

Description
--------------- 
Intel MPI is available for MPI environment. 

Usage 
--------------- 
Use mpirun command to execute a job. 

.. command-format::

   mpirun [ -np parallel number] [ -ppn parallel number per node ] program

.. attention::
 To improve job performance, specify values so that:

 [Parallel number(the value of "-np")] = [Number of nodes(the value of "#PBS -l select=")] ×[Parallel number per node(the value of "-ppn")]


Example
----------------

.. code-block:: none

   #!/bin/bash
   #PBS -l select=1 
   
   cd $PBS_O_WORKDIR

   module load oneapi
   mpirun -np 56 /work/app/ABINIT/abinit-10.2.7_cpu/bin/abinit < input.files > result.out 2> result.err