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ORCA 3.0.3 is availbale in FGCI clusters. Note that this version is not available in old FGI clusters.

Sample job description file (xrsl).

( "test.inp" "test.inp" )
( "output.tar" "output.tar" )



Corresponding command script (
Note the way how orca is launched. The full path of the ORCA executable is stored to a variable that is then used launch the program.
This set up is needed to be able to use ORCA  with parallel computing.


module load ORCA
orca_fp=$(which orca)
$orca_fp test.inp > test.out
tar cf output.tar ./*



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