Well, unfortunately I don't know of any step-by-step tutorial, but from what I remember the workflow is pretty straightforward and looks something like this:
- Download dependencies, there is precompiled OpenMM and FFTW for Windows. - Run CMake, you'll have to set up the library dependencies manually, at least that's what I did; use the Visual Studio generator which should give you project files/solutions/whatever they're called. - Open the project in VS and compile; after this step you should have a working mdru-gpu. You can go back to cygwin and run it from there (note that you might have to juggle around with libraries and LD_LIBRARY_PATh in cygwin). As I did this >1 year ago the above might not be accurate and slight details might be missing. Let me know if you succeed. Cheers, -- Szilárd On Fri, Jul 1, 2011 at 11:35 AM, Андрей Гончар <[email protected]> wrote: > Thank you for your reply! Now can I have your attention for another > quetsion? I'm not very experienced in Visual Studio because I do > almost all of my work under linux. But now it is necessary to compile > gromacs-gpu under windows. Could someone point me to a tutorial or > how-to about step-by-step compiling of gpu-accelerated gromacs under > windows, because now i'm totally confused... Thanks in advance! > > 2011/6/30 Szilárd Páll <[email protected]>: >> Dear Andrew, >> >> Compiling on Windows was tested only using MSVC and I have no idea if >> it works or not under cygwin. You should just try, both cmake and gcc >> is available for cygwin so you might be lucky and get mdrun-gpu >> compiled without any additional effort. >> >> All binaries on the Gromacs webpage _are outdated_ which is clearly >> stated on the respective page. >> >> Cheers, >> -- >> Szilárd >> >> >> >> On Fri, Jun 24, 2011 at 9:54 AM, Андрей Гончар <[email protected]> wrote: >>> Hello! I have a misunderstood about the installation of gpu-enabled >>> gromacs under windows. >>> I'll try to explain: in system requirements of gromacs-gpu it is wrote >>> that Nvidia CUDA libraries have to be installed. But is it possible to >>> do under cygwin? This quertion appears because we run gromacs under >>> windows and so under cygwin. >>> Is there a way to compile gromacs-gpu on cygwin? Will the binaries >>> from gromacs-gpu page work and if so which of them to prefer to run >>> under cygwin? Those for windows or for linux? >>> >>> -- >>> >>> Andrew Gontchar >>> -- >>> gmx-users mailing list [email protected] >>> http://lists.gromacs.org/mailman/listinfo/gmx-users >>> Please search the archive at >>> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >>> Please don't post (un)subscribe requests to the list. Use the >>> www interface or send it to [email protected]. >>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>> >> -- >> gmx-users mailing list [email protected] >> http://lists.gromacs.org/mailman/listinfo/gmx-users >> Please search the archive at >> http://www.gromacs.org/Support/Mailing_Lists/Search before posting! >> Please don't post (un)subscribe requests to the list. Use the >> www interface or send it to [email protected]. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > > > > -- > > Андрей Гончар > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
