Re: [AMBER] pmemd24 problems with RTX5090

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 15 Jul 2025 11:44:12 -0600

On Tue, Jul 15, 2025, Oscar Conchillo-Solé via AMBER wrote:
>
>Since I saw that there is a new version of amber I went for it.
>
>First thing I realized is that after executing:
>./update_amber --update
>I got this error:
>Downloading updates for Amber 24
>Downloading Amber 24/update.1 (1.10 KB)
>Applying Amber 24/update.1
>Downloading Amber 24/update.2 (317.64 KB)
>Downloading: [::::::::::::::::::::::::::::::::::::::::::::::::::]
>100.0% Done.
>Applying Amber 24/update.2
>PatchingError: .patches/Amber24_Unapplied_Patches/update.2 failed to
>apply. No changes made from this patch

This is a known problem. Basically, you should not run update_amber from
the pmemd24_src folder. I have updated the manual to better describe this.
You can always download the latest Amber25 Reference Manual here:

    https://ambermd.org/doc12/Amber25.pdf

[I may try to help with the RTX5090 problem in a separate email. But I
don't myself have access to such a card, so I am hoping others on the list
may be able to chime in here.]

....dac


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Received on Tue Jul 15 2025 - 11:00:02 PDT
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