Re: [AMBER] CUDA version for AMBER22

From: David A Case via AMBER <amber.ambermd.org>
Date: Tue, 14 Nov 2023 08:26:04 -0700

On Tue, Nov 14, 2023, Jones De Andrade via AMBER wrote:
>
>There is no difference because the test did not generate any output,
>so it seems. I did try to execute ir directly, to no use:
>
>##################
>$ cd /usr/local/chem/amber23/test/cuda/xray/480d

>-rw-r--r-- 1 root root 3498 nov 11 05:52 xray_md1.out

Is there any information in the above file that helps?

>
>I would not get my hopes too high that I wouldn't at all use mdgx, but
>however it might be true that the cuda version may not be needed in
>comparison to the serial and parallel versions?

See the manual: mdgx.cuda is only useful for a very small set of systems.

....dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Nov 14 2023 - 07:30:02 PST
Custom Search