ORCA 6.1.1 installed

ORCA 6.1.1 was installed. Job samples are available in /apl/orca/6.1.1/samples directory.

How to use ORCA 6.1.1 with osub

You can use ORCA 6.1.1 with osub by adding one of the following options. Otherwise, the default version (6.1.0) will be used as before.

• -l
• --latest
  • Use the latest ORCA version. -l and --latest mean exactly the same thing. If a new version is released in the future, it will be used automatically.
• -v 6.1.1
  • This is an option to select version 6.1.1 explicitly.

The manual page of osub is updated. Please also check that page.

Example: 16 cores run with ORCA 6.1.1 using osub

osub -np 16 -l orca.inp