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August 24, 2019

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Matt Sonntag
Unregistered guest
Posted on Thursday, July 20, 2017 - 11:19 am:   

I'm trying to install ORCA for a colleague. I've installed ORCA on the server and in the interface manager stated the version (4.0.0) and directory (/usr/local/orca_4_0_0_2_linux_x86-64). What do I put in the ORCA MPI setup script box? I've tried also installing Open MPI and put in that location and also just leaving it blank or as the default (/share/apps/orca3/openmpi165/bin/mpivars.sh). When I try that I get an internal error or misconfiguration and that it is unable to process my request. Any help would be appreciated.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 559
Registered: 11-2006
Posted on Thursday, July 20, 2017 - 12:26 pm:   

Matt,

What error message are you seeign. The mpivars.sh setup script is what you want.
Matt Sonntag
Unregistered guest
Posted on Thursday, July 20, 2017 - 3:34 pm:   

Here is the page that I see when I hit submit. I'm not sure where the mpivars.sh setup script is located.
JR Schmidt
Moderator
Username: Schmidt

Post Number: 560
Registered: 11-2006
Posted on Thursday, July 20, 2017 - 4:01 pm:   

Can you change OTHER variables? This may be completely unrelated to orca setup, but rather indicate a misconfiguration of WebMO / bad file permissions.
Matt Sonntag
Unregistered guest
Posted on Thursday, July 20, 2017 - 4:41 pm:   

Yes, I currently have Gaussian running and can edit the settings in that interface control and have been running jobs without a problem.

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