[gmx-developers] Re: GROMACS 4.6 pre-release: new algorithms, parallelization schemes, & GPU acceleration

[Szilárd Páll]

Hi,

Thanks for the feedback.

I'll work on getting the code build without hiccups on Windows an will
get back to you when the fixes will get in the repository.

> On the cuda side - this seem to compile and link fine so far
> (I had to patch one cmake-1.8.7 FindCUDA macro), but there are
> some warnings I don't understand. The generated cl options
> include -fPIC which doesn't seem to belong to Windows. Maybe
> this comes from cmake itself, dunno.

What was the issue with the FindCUDA script? The -fPIC is indeed an
oversight, it should be added to the flags conditionally.

> The "default build" for Win64 seems to be "static libs"
> and huge binaries. OK, they work fine.

I can't comment on that, I've don't have much experience with Windows
development, but I'll check it out.

Cheers,
--
Szilárd


> But I can't find out how to get mdrun to select a gpu.
>
> Thanks & regards
>
> M.
>
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