ORCA 4.x or later user registration

Last update: Nov 6, 2024.

How to use ORCA at RCCS supercomputer

We cannot make ORCA freely available to all users due to its license restriction.
Please register at the official site first. Moreover, you need to agree with the EULA before using ORCA.
 

How to register at RCCS

Please forward account confirmation e-mail (which name maybe 'Welcome to "ORCA Forum"') to rccs-admin_at_ims.ac.jp (change _at_ to @), where please also write your RCCS account ID in the mail text. Please tell us in case you lost that e-mail.
 

Use

Once the procedure above completed, access to ORCA files would be approved.
Currently, following versions are available in RCCS.

Installation directories:

  • /apl/orca/6.0.1
    • orca/ : ORCA 6.0.1
    • samples/ : sample input available here
  • /apl/orca/5.0.4
    • orca/ : ORCA 5.0.4
    • samples/ : sample input available here
    • testsuite/ : official test suite (input files in OutputFiles/ directory, output files in RCCS_OutputFiles directory)
  • /apl/orca/5.0.3
    • orca/ : ORCA 5.0.3
    • samples/ : sample input available
  • /apl/orca/4.2.1
    • orca/ : ORCA 4.2.1
    • openmpi-3.1.4/ : OpenMPI required for orca 4.2.1
    • samples/ : sample input available here

(Note: we employ shared version simply because it shows better performance than static linked version.)

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