diff --git a/docs.it4i/software/orca.md b/docs.it4i/software/orca.md index a6eb0fef2c8c025f4e00a5e973937bc6567c8e1a..5f71cf608f40aa2d3b7a81521942c86bfc8de4c3 100644 --- a/docs.it4i/software/orca.md +++ b/docs.it4i/software/orca.md @@ -32,6 +32,7 @@ Currently Loaded Modulefiles: Create a file called orca_serial.inp that contains the following orca commands +```cpp # My first ORCA calculation :-) # # Taken from the Orca manual @@ -41,6 +42,7 @@ Create a file called orca_serial.inp that contains the following orca commands C 0 0 0 O 0 0 1.13 * +``` Create a Sun Grid Engine submission file called submit_serial.sh that looks like this