#!/bin/csh
#
# @ job_name = run-gamess-2009 
# @ output = $(job_name).o$(jobid)
# @ error  = $(job_name).e$(jobid)
# @ cri_job_type = mpi
# @ cri_total_tasks = 16  
# @ wall_clock_limit = 1:00:00
# @ data_limit = 1gb 
# @ stack_limit = 128mb
# @ cri_initialdir = /work/mon_projet/mon_login/.../IN
# @ cri_finaldir = /work/mon_projet/mon_login/.../OUT
# @ notification = complete
# @ notify_user = <prenom.nom@adresse.fr> 

# Gamess utilise MPI et LAPI pour les messages
# @ network.mpi = sn_all,shared,us
# @ network.lapi = sn_all,shared,us

# @ queue

#############################
# Environnement Gamess 2009
setenv GAMESS_HOME /soft/gamess2009
setenv PATH ${GAMESS_HOME}:$PATH
mkdir $LOCAL_WORK_DIR/scr
#############################

cd $LOCAL_WORK_DIR

# Input : <data>.inp 
rungms data 2009 > gamess.out 

mv * $LOCAL_SPOOL_DIR
