[gmx-developers] Branches w/working OpenCL support

Roland Schulz roland at utk.edu
Fri Jun 19 09:17:21 CEST 2015


On Thu, Jun 18, 2015 at 6:34 PM, Mirco Wahab <
mirco.wahab at chemie.tu-freiberg.de> wrote:

> On 18.06.2015 23:31, Roland Schulz wrote:
> > On Thu, Jun 18, 2015 at 5:12 PM, Mirco Wahab
> > <mirco.wahab at chemie.tu-freiberg.de
> > <mailto:mirco.wahab at chemie.tu-freiberg.de>> wrote:
> >
> >     Hi Mark,
> >
> >     On 17.06.2015 23:31, Mark Abraham wrote:
> >     > I've solved three correctness issues with the OpenCL
> implementation now,
> >     > and NPT on AMD looks quite nice. Can you please try the code at
> >     >https://gerrit.gromacs.org/#/c/4314/26 and let us know if the
> situation
> >     > is improved?
> >
> >     I tried but could not really compile under VS-2013/MSVC-18. The
> problem
> >     is, as is already stated in a comment, the macro expansion into an
> >     alignment declaration, which is not supported by MSVC:
> >
> >
> > This is weird. Because it works for me with VS-2013. Do you have the
> > latest Update (2013 Update 4)?
>
> Yes, Update 4. Your response suprised me. What I found out after
> further tests:
>
> cmake with  -DGMX_SIMD=AVX_256 compiles fine  (only an <algorithm> for
> min/max missing somewhere)
>
> cmake with  -DGMX_SIMD=SSE2 fails on expansion of this said macro
> (in bonded.cpp, clincs.cpp)
>

Thanks. I didn't correctly test with SSE2 and thus thought it was OK with
2013. https://gerrit.gromacs.org/#/c/4744/ fixes it.

Roland


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