On Sat, Mar 24, 2018 at 10:38 AM, David A Case <david.case.rutgers.edu>
wrote:
> Hi everyone:
>
> I was very gratified with the help that was offered in my previous
> request for volunteers, so here goes part 2:
>
>
> 1. I'd like someone to test on MacOS, with both clang and gnu
> compilers. Ray helped out earlier (thanks!), but I'd like a third
> opinion here. I'm not sure I trust *my* Mac to be fully representative
> of what is out there.
>
I've tested both compilers (gnu and clang) for serial ambertools. I think
it's good so far with only 3 file comparisons failed (2 of them are due to
rounding; 1 comes
from known mmpbsa_py issue with clang 9.0).
Hai
>
> 2. We no longer support pre-Kepler (sm20) GPUs (e.g. M2070, C2050).
> Does anyone know how to check for that (has to be a run-time, not
> compile time), and exit gracefully?
>
> 3. Does anyone besides Scott have access to Intel 18.0 compilers?
> Basic things like the dhfr or water tests seem to be failing there. If
> this is reproduced, can someone put a trap in the configure2 script?
>
> 4. The PGI compilers are favorites for some people, and we need a
> second opinion here, vs the srb results on the wiki. If anyone has
> access to other versions, that might be worth a shot as well.
>
> ...thx...dac
>
>
>
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Received on Sat Mar 24 2018 - 19:00:03 PDT
