Re: [AMBER] FW: Conda installation of Ambertools23 does not [appear to] include 'OMP' programs

From: David A Case via AMBER <amber.ambermd.org>
Date: Thu, 11 Jan 2024 12:23:49 -0700

On Wed, Jan 10, 2024, Murray, Makay via AMBER wrote:
>
>Q1: Are there multi-threaded programs installed with the conda-forge
>version of AmberTools23 that I’m just not finding?

No: the current conda builds only look at serial builds. But there are
efforts to add MPI versions, and (perhaps) OMP versions as well.

>Q2: If there are indeed no OMP versions distributed with the conda-forge
>install, where can I make a feature request to add those binaries to future
>conda distributions?

Here is the place to start a new issue about this:

    https://github.com/conda-forge/ambertools-feedstock

...good luck...dac


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Received on Thu Jan 11 2024 - 11:30:04 PST
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