<div dir="ltr"><br><div class="gmail_extra"><br><br><div class="gmail_quote">On Thu, Jun 26, 2014 at 11:28 PM, Mirco Wahab <span dir="ltr"><<a href="mailto:mirco.wahab@chemie.tu-freiberg.de" target="_blank">mirco.wahab@chemie.tu-freiberg.de</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">Dear gmx developers,<br>
<br>
tonight I tried to compile and install Gromacs 5.0 rc1<br>
(<a href="http://jenkins.gromacs.org/view/Gerrit%205.0/job/Source_tarball_5_0/" target="_blank">http://jenkins.gromacs.org/<u></u>view/Gerrit%205.0/job/Source_<u></u>tarball_5_0/</a>)<br>
on a Windows 8 (x86) box with a NV GTX-660Ti.<br>
<br>
Summary: It works, but only after going through small obstacles.<br>
<br>
Details: I had to manually edit the configuration files created<br>
by cmake (3.0.0 Win) through cmake-gui:<br>
<br>
a) Visual C++ doesn't support variadic templates, so gmock/gtest<br>
will fail. Adding /D_VARIADIC_MAX=10 to CMAKE_CXX_FLAGS solves this<br>
(<a href="http://stackoverflow.com/questions/12558327/google-test-in-visual-studio-2012" target="_blank">http://stackoverflow.com/<u></u>questions/12558327/google-<u></u>test-in-visual-studio-2012</a>).<br></blockquote><div>
<br></div><div>Thanks for the report. I have uploaded <a href="https://gerrit.gromacs.org/3717">https://gerrit.gromacs.org/3717</a> to fix this.</div><div><br></div><div>Mark</div><div> </div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
b) there are two CMAKE-definitions missing which lead to non-workable<br>
makefiles, adding them by hand (cmake-gui) solved this. Not exactly<br>
knowing what they are used for, I created and set<br>
CMAKE_EXE_LINKER_FLAGS_<u></u>RELWITHASSERT to /machine:x64, and<br>
CMAKE_EXE_LINKER_FLAGS_<u></u>REFERENCE to /machine:x64. At least,<br>
it worked fine then.<br>
<br>
Performance is good, I get 137 ns/day on a MARTINI small vesicle<br>
system w/250K atoms. So Gromacs 5.0 can be expected to work on<br>
Windows with CUDA support.<br>
<br>
More details ==><br>
<br>
The system configuration<br>
------------------------<br>
Windows 8.1 pro x64<br>
Visual Studio 2012 Pro<br>
CUDA 6 (6.0.37 for Windows x64)<br>
<br>
<br>
Libraries used by Gromacs<br>
-------------------------<br>
Available libraries (x64) in D:\Usr\x64\lib\<br>
libfftwf-3.3.lib<br>
libxml2.lib<br>
<br>
Header files in D:\Usr\x64\include\<br>
fftw3.h<br>
iconv.h<br>
.\libxml\*.h<br>
<br>
Boost 1.55 (x64) in D:\Usr\x64\boost\<br>
<br>
<br>
Build notes<br>
------------<br>
<br>
D:\gromacs><br>
unzip gromacs-5.0-rc1-dev.tar.gz<br>
<br>
mkdir gromacs-build<br>
cd gromacs-build<br>
<br>
D:\gromacs\gromacs-build><br>
<br>
cmake -G "Visual Studio 11 Win64" ^<br>
-DCMAKE_INSTALL_PREFIX=D:/<u></u>Gromacs5rc1 ^<br>
-DCMAKE_PREFIX_PATH=D:/Usr/x64 ^<br>
-DBOOST_INCLUDEDIR=D:/Usr/x64/<u></u>boost ^<br>
-DBOOST_LIBRARYDIR=D:/Usr/x64/<u></u>boost/lib ^<br>
-DFFTWF_LIBRARY=D:/Usr/x64/<u></u>lib/libfftwf-3.3.lib ^<br>
..\gromacs-5.0-rc1-dev<br>
<br>
EDIT cmake config via cmake-gui (by hand):<br>
ADD CMAKE_EXE_LINKER_FLAGS_<u></u>RELWITHASSERT /machine:x64<br>
ADD CMAKE_EXE_LINKER_FLAGS_<u></u>REFERENCE /machine:x64<br>
ADD TO CMAKE_CXX_FLAGS /D_VARIADIC_MAX=10<br>
<br>
press configure / generate makefile<br>
<br>
devenv Gromacs.sln /build Release ^<br>
/project ALL_BUILD /projectconfig Release ^<br>
/project INSTALL<br>
<br>
<br>
done! Builds cleanly and installs ~95MB to target directory.<span class=""><font color="#888888"><br>
<br>
<br>
<br>
-- <br>
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</font></span></blockquote></div><br></div></div>