Setting up OpenMM on an Itanium ia64 workstation

The functionality of OpenMM will (eventually) include everything that one would need to run modern molecular simulation.
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Runa Kovacs
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Setting up OpenMM on an Itanium ia64 workstation

Post by Runa Kovacs » Tue Feb 27, 2024 2:30 pm

Hello!

As OpenMM's install instructions describe using Conda, and Conda does not support ia64 architecture from what I could find - I am wondering if anyone had had any luck compiling and setting up openMM on an itanium machine.

My laboratory has a somewhat aging, but still reliable itanium machine that I prefer to run test calculations on before pushing to the actual HPC cluster.

The machine is running a linux environment.

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Peter Eastman
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Joined: Thu Aug 09, 2007 1:25 pm

Re: Setting up OpenMM on an Itanium ia64 workstation

Post by Peter Eastman » Tue Feb 27, 2024 2:52 pm

That isn't an architecture we've ever tried to support. You could try to figure out how to compile it. It would definitely require some changes to the build scripts, but you might be able to do it, and it might even work. Then again it might not...

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