[gmx-developers] Branches w/working OpenCL support

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Fri Jun 19 00:34:31 CEST 2015


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)

2>  bonded.cpp
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(208): 
error C2059: syntax error : '*'
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(208): 
error C2485: 'sizeof' : unrecognized exte
nded attribute
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(208): 
error C2485: 'real' : unrecognized extend
ed attribute
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(208): 
error C2059: syntax error : ')'
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(208): 
error C2146: syntax error : missing ';' b
efore identifier 'buf_aligned'
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(208): 
error C4430: missing type specifier - int
  assumed. Note: C++ does not support default-int
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(208): 
error C2065: 'buf_aligned' : undeclared i
dentifier
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(220): 
error C2065: 'buf_aligned' : undeclared i
dentifier
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(224): 
error C2065: 'buf_aligned' : undeclared i
dentifier
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(225): 
error C2065: 'buf_aligned' : undeclared i
dentifier
2>D:\LibSrc\Gromacs51CLgit2\gromacs\src\gromacs\listed-forces\bonded.cpp(226): 
error C2065: 'buf_aligned' : undeclared i
dentifier

Hmm, I don't have an AVX machine for testing AMD on windows
at this time. Maybe I can arrange later.

Regards

M.




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