# @ wall_clock_limit  = 0:10:00
# @ data_limit  = 1.3gb
# @ stack_limit = 0.2gb
# @ job_name    = test_seq
# @ output      = $(job_name).$(jobid)
# @ error       = $(job_name).$(jobid)
# @ queue

set -x

cd $WORKDIR

module load cp2k/14Jan08

cp2k.sopt H2O.inp