more canonical submission and exec eval statement

orca_wrap.sh

@@ -261,7 +261,7 @@ if [ -z "$SLURM_JOB_ID" ]; then
  
        #TODO: check sensible time constraint
        # saving standard settings
-       submit_statement="sbatch -A ${_arg_assoc} -p ${queue} -J ${_arg_tag} -o ${_arg_outdir}/${samplename%%.*}_%j.log -n $tasks -t 300 --signal=B:SIGUSR2@600 -N 1"
+       submit_statement="sbatch -A ${_arg_assoc} -p ${queue} -J ${_arg_tag} -o ${_arg_outdir}/${samplename%%.*}_%j.log -n $tasks -t 120:00:00 --signal=B:SIGUSR2@600 -N 1"
 
        $submit_statement --wrap "$(cat << EOF
        cleanup(){
@@ -275,7 +275,8 @@ if [ -z "$SLURM_JOB_ID" ]; then
        # Go to jobdir and start the program
        cd /localscratch/\${SLURM_JOB_ID}
        set OMPI_MCA_btl=self,sm,openib
-       eval \$(which orca) "\$scratch"/\$(basename $sample)
+       #eval \$(which orca) "\$scratch"/\$(basename $sample)
+       $EBROOTORCA/orca "\$scratch"/\$(basename $sample)
        cleanup
 EOF
 )"