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
