[Columbus] COLUMBUS-MOLCAS link

[Kalpa Dihingia]

Resending to Dr. Felix Plasser at F.Plasser at lboro.ac.uk as the mail to
felix.plasser at univie.ac.at is not delivered.

*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 1:46 PM Kalpa Dihingia <20jyotikalpa15 at gmail.com>
wrote:

> 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!0168EOVWzDAjB62EtZCF6JV9brwegzAr9sytpqhncgBkegakNna1zlQIvar5JKEj8HeunovUpFfR5TCYJnzHGnZ7ZaYU$ 
>
> 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
>
>
>
>
>
>
>
>
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