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ORCA 4.2.1 avaibale

How to use ORCA in 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 in 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 add your RCCS account ID in the mail. We can confirm registration status from that e-mail. Please tell us if you lost that e-mail.
 

Use

Once the procedure above completed, access to ORCA files would be approved.
Currently, shared version of 4.2.1 is available in our system. (Note: we avoid static version simply because it was too slow.)

Installation directory:

  • /local/apl/lx/orca421
    • orca/ : ORCA 4.2.1
    • openmpi-3.1.4/ : corresponding version of OpenMPI
    • samples/ : sample input is available here