#!/bin/sh -x#!/bin/sh -x

PROC_NUM=8

echo "***********************************************************************"
echo "Running on: $HOSTNAME"
echo "***********************************************************************"

if [ "x$PBS_NODEFILE" != "x" ] ; then
  echo "PBS Nodefile: $PBS_NODEFILE"
    HOST_NODEFILE=$PBS_NODEFILE
    fi


    if [ "x$HOST_NODEFILE" = "x" ]; then
      echo "No hosts file defined.  Exiting..."
        exit
        fi

        echo "Creating host file..."

        export NODES=`cat $PBS_NODEFILE`
        export NODELIST=nodelist


PROC_NUM=8

echo "***********************************************************************"
echo "Running on: $HOSTNAME"
echo "***********************************************************************"

if [ "x$PBS_NODEFILE" != "x" ] ; then
  echo "PBS Nodefile: $PBS_NODEFILE"
    HOST_NODEFILE=$PBS_NODEFILE
    fi

 if [ "x$HOST_NODEFILE" = "x" ]; then
      echo "No hosts file defined.  Exiting..."
        exit
        fi

        echo "Creating host file..."

        export NODES=`cat $PBS_NODEFILE`
        export NODELIST=nodelist
        echo group main > $NODELIST
                        for node in $NODES ; do
                                        echo host $node ++shell ssh >> $NODELIST
                                                done

                                    echo "Nodelist file:"
                                    cat $NODELIST

/home/salami/model_27mordad/charmrun ++remote-shell ssh ++nodelist $NODELIST  +p$PROC_NUM /home/salami/model_27mordad/namd2   /home/salami/model_27mordad/MinEqu.conf > out.log