I think so! 2011/7/8 Szilárd Páll <szilard.p...@cbr.su.se>: > I think you made the right decision! :) > -- > Szilárd > > > > On Fri, Jul 8, 2011 at 12:50 PM, Андрей Гончар <gontc...@gmail.com> wrote: >> Thanks a lot! >> Now we decided to use gromacs under linux and the installation of >> gromacs and gromacs-gpu has passed without errors >> Problem is solved :) >> >> 2011/7/8 Szilárd Páll <szilard.p...@cbr.su.se>: >>> 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 <gontc...@gmail.com> 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 <szilard.p...@cbr.su.se>: >>>>> 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 <gontc...@gmail.com> 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 gmx-users@gromacs.org >>>>>> 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 gmx-users-requ...@gromacs.org. >>>>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>>>>> >>>>> -- >>>>> gmx-users mailing list gmx-users@gromacs.org >>>>> 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 gmx-users-requ...@gromacs.org. >>>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>>>> >>>> >>>> >>>> >>>> -- >>>> >>>> Андрей Гончар >>>> -- >>>> gmx-users mailing list gmx-users@gromacs.org >>>> 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 gmx-users-requ...@gromacs.org. >>>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>>> >>> -- >>> gmx-users mailing list gmx-users@gromacs.org >>> 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 gmx-users-requ...@gromacs.org. >>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >>> >> >> >> >> -- >> >> Андрей Гончар >> -- >> gmx-users mailing list gmx-users@gromacs.org >> 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 gmx-users-requ...@gromacs.org. >> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >> > -- > gmx-users mailing list gmx-users@gromacs.org > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists >
-- Андрей Гончар -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
