Example

In order to use MPICPL the coupling to be set up must be described in an xml file (see mpicpl documentation). Here is an example for coupling SIESTA and FAST(siesta-fast.xml).

<coupling arguments="nossi_top">
  <!-- declare all codes -->
    <code np="1"
        cwd="${nossi_top}/Examples/tddft-qm/h2o/siesta"
        program="${nossi_top}/siesta/epsn/siesta.sh"
        name="siestaNOSSI"
        args="h2o_tddft.fdf" />
  <code np="1"
        name="tddft_nossi" 
        cwd="${nossi_top}/Examples/tddft-qm/h2o/tddft"
        program="${nossi_top}/fast/tddft_qm"
        args=""/>

<!-- interconnect codes --> 
   <binding name="tddft-dft" client="tddft_qm" server="siestaNOSSI" /> 

</coupling>

The coupled programs are launched by

$MPICPL_TOP/tools/mpicplrun -d ./nossi-tddft-dft.xml  $NOSSI_TOP