On Tue, Mar 05, 2024, Dulal Mondal via AMBER wrote:
>Thank You for your reply. I do the same task as you mentioned. Then I test
>the pemmd.cuda.MPI. I got the following message.
>
>*200 file comparisons passed
> 1 file comparisons failed (0 ignored)
> 0 tests experienced errors*
Look in the diffs file to see which test failed. Does it look like roundoff
error? Is this a type of calculation you intend to perform?
It is not uncommon for a small number of tests to fail, but examining the
details is important.
....dac
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Received on Wed Mar 13 2024 - 09:00:03 PDT
