[Columbus] COLUMBUS-MOLCAS link

[Kalpa Dihingia]

Sure, sir
Here I have attached the files.

*Thank you !*

Kalpajyoti Dihingia
Research Scholar,
Department of Chemistry,
Institute of Science,
Banaras Hindu University, Varanasi-221005
Phone no: 7576867088, 9707836598









On Tue, Aug 8, 2023 at 4:17 PM Felix Plasser <F.Plasser at lboro.ac.uk> wrote:

> Hi Kalpa,
>
> The OpenMolcas interface can be a bit tricky. If you attach, the
> install.config and install.log.standard files, then I can have a look. I
> can't actually read those screenshots you sent ...
>
> -Felix
> On 08/08/2023 09:16, Kalpa Dihingia via Columbus wrote:
>
> ** THIS MESSAGE ORIGINATED OUTSIDE LOUGHBOROUGH UNIVERSITY **
>
> ** Be wary of links or attachments, especially if the email is unsolicited
> or you don't recognise the sender's email address. **
> Dear Columbus development team I am working with both columbus and
> OpenMolcas quantum chemistry software. But OpenMolcas is limited to RASSCF
> and CASPT2 level of theory, that is why I want to interface between both
> the softwares (both of calling
> Dear Columbus development team
> I am working with both *columbus and OpenMolcas quantum chemistry
> software*. But OpenMolcas is limited to RASSCF and CASPT2 level of
> theory, that is why I want to interface between both the softwares (both of
> calling OpenMolcas from columbus and Columbus from OpenMolcas).
>
> I downloaded Columbus using: *wget*
> https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus-web/releases/Col7.2_2022-09-23_linux64.ifc_bin.tar.gz__;!!KGKeukY!1N3BOmCR7o5JFQI_BioLLRHlKSWLjd97TOjnRuQ-1oJQE9KfKvRjeqqcRQe49DSLJS82t4-JOcZpVHviWz29yTDHo4W_$ 
> <https://urldefense.com/v3/__https://columbus-program-system.gitlab.io/columbus-web/releases/Col7.2_2022-09-23_linux64.ifc_bin.tar.gz__;!!KGKeukY!xDHZY9lud6MjdKeAaC-sQ5olmflWmQdXzgQoqKKtirVJYrBEvRfttWBkKA28piMH08rWhs5zkh80_eZQkxh86z5hCjX2$>
>
> I followed the columbus documentation but was not able to compile it
> properly. Can anyone please let me know how to solve this problem
>
> I did the following:
> *Step 1: *Edited the install.config:
> [image: image.png]
>
> *./install.automatic -p linux64.ifc standard grad parallel *
> [image: image.png]
>
> [image: image.png]
>
>
>
>
> *Thank you !*
>
> Kalpajyoti Dihingia
> Research Scholar,
> Department of Chemistry,
> Institute of Science,
> Banaras Hindu University, Varanasi-221005
> Phone no: 7576867088, 9707836598
>
>
>
>
>
>
>
>
> _______________________________________________
> Columbus mailing listColumbus at lists.osc.eduhttps://lists.osu.edu/mailman/listinfo/columbus
>
>
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