On Thu, May 21, 2020, Cong Liu wrote:
>
>The Amber20 compiled with gcc/7.4.0 using the following command:
>
>> *./configure --with-python MYPYTHON -nosse gnu*
>
>failed some tests.
>
> - Most of them are related to mdgx. I guess these are normal since using
> the "-nosse" flag?
> - Other nontrivial cpptraj test failures worry me.
Can you say more about your hardware and OS? I'm guessing that no
developer has tried to run these codes on Power9 chips; if I'm wrong,
presumably someone on the list will chime in. (I know that there are
people looking at putting Amber on Summit, but I've not heard either
news about this, or reports of problems.)
In a way, it is encouraging that the only problems are in mdgx, and in
some aspects of cpptraj. Dave Cerutti and Dan Roe may have more insight
here.
....dac
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Received on Thu May 21 2020 - 11:30:02 PDT
