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
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Received on Tue Nov 14 2023 - 07:30:02 PST
