#!/bin/csh
#
# batch.csh Sample batch input file used by GridEngine
# qsub command to lauch MPI jobs with the
# GridEngine/HPC 3.1 loose integration package.
#
# User needs to customize the following 4 items
# enclosed by <>, and delete the "<" and ">" symbols.
#
#

# Shell to use to run the job.
#$ -S /bin/csh

# Where to put standard out.
#$ -o STD.out

# Where to put standard error.
#$ -e STD.err

# Email status to user. Typically this is the email address
# of the person who submitted the job.
#$ -M <your_email@address> 

# When to notify the user.
#$ -m es

# Execute the job from the current working directory
#$ -cwd
#
# Inherit env setting
#$ -V
#
# Parallel environment request
# ---------------------------
#
# Use "cre" complex
#$ -l cre
#
# Parallel Environment name and CPU_Number requested
#$ -pe hpc <Number_of_CPUs> 
#
# All resources are defined here
#
# A sample mprun command
# User must use MPIRUN wrapper to make a loose integration
# Between Sun Grid Engine and HPC ClusterTools working
# In the case of suspending/resuming/terminating batch jobs
#
# Do not touch the next line.
source /opt/codine52/default/common/settings.csh
set NAMD2EXE=/usr/local/namd2/namd2/namd2
#
$CODINE_ROOT/mpi/MPRUN -np <Number_of_CPUs> $NAMD2EXE <Your_NAMD_configuration_file>