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How to building Ovitos in HPC cluster

Dear all,

I need help regarding building Ovitos in HPC cluster "IT4I".

Please help me thank you.

 

Thank you.

Best

P

Dear Prashant,

could you specify what you mean by "building ovitos"? Please note that we only distribute binary packages, see more details here:

https://www.ovito.org/about/ovito-pro/

But maybe I misunderstood the question?

-Constanze

Hello Constanze,

Actually, I am using DXA modifier on around 10 million atoms and because of memory problems. I wanted to use Ovito in HPC. But I don't know how to install ovito in HPC.

So, it would be really helpful if you can guide me, regarding this.

Thank you

Best

Prashant

Sorry for the delayed response.
Actually it should suffice to unpack the tar.xz archive that we provide, see https://www.ovito.org/installation/. Does that not work for you?
Alternatively, you could install the PyPi or Conda packages for OVITO, see https://www.ovito.org/python-downloads/.

-Constanze

I've been using ovito in an HPC cluster and to do so the easiest way is to install the PyPi package. There will be specific instructions in your HPC documentation of how to use Python 3, but after installing the ovito module you'll be able to write a python script where you can perform the necessary steps. Have a look at the python interface documentation https://www.ovito.org/docs/current/python/

Hello,

Thank you so much for your help Constanze and Vlad.

It workes.

Best regards.

Prashant