On Thu, Dec 06, 2018, Rui Sun wrote:
>
>I would like to test AMBER18 with GPUs but the code seems to fail when
>applying the updates.
>
>After downloading and extracting the source code, I attempted to compile it
>by
>./configure gpu
"gpu" is not an allowed argument to configure, but you apparently had
troubles with the update step before that error was encountered.
In a separate email, you said you ran "configure" , and everything
worked. If so, you won't need to download any patches again: you
already have them.
If the above sounds correct, try this "./configure -cuda gnu", which is
the proper way to request building the GPU codes.
...good luck....dac
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Received on Sat Dec 08 2018 - 08:30:04 PST
