To run ORCA 2.7 in parallel - max. 8 CPUs
- it is installed in /apps/orca_x86_64_exe_r2131

First set your mpi enviroment

mpi-selector-menu

choose

1. openmpi_gcc-1.2.8

and per user

You can use script running 8 cpu job:

qsub /apps/bin/orca28 input_name

If you use your own script your should have:

#$ -pe orte 8

----------------------

and in your input

! PAL8 

Be careful and ask queue and program for the same amount of CPUs

----------------------------
Input example

<code>
! BP ECP{def2-TZVP,def2-TZVP/J) def2-tzvp def2-tzvp/j tightscf opt
! PAL8
* xyz -2 2
Au 0 0 0
Cl 2.5 0 0
Cl -2.5 0 0
Cl 0 2.5 0
Cl 0 -2.5 0
*
</code>

To submit job

qsub /apps/bin/orca28 input_name