PS: If you have fftw in the standard location it should be picked up by cmake; otherwise, -DCMAKE_PREFIX_PATH=/usr/local should work as well.
-- Szilárd On Wed, Feb 27, 2013 at 9:21 PM, Szilárd Páll <szilard.p...@cbr.su.se>wrote: > Hi, > > Thanks for the detailed information! > > The only reason why cygwin is cumbersome is that we are not testing it > actively, have we had a developer or contributor working with cygwin there > would be no issues. > > In any case, especially because there is performance involved, we should > try to get the AVX issue solved. First and foremost, would you mind filing > a redmine issue on the issue (or if you consider the dll problem annoying, > feel free to file a second one). > > However, before filing the AVX bug report, please try the following: > - A newer gcc, preferably 4.7; although in *nix 4.5 seems to work with > AVX, it's best if we have things tested with the latest gcc. > - SSE4.1 acceleration; beside that this should be faster than SSE2, but if > that doesn't work either something is seriously broken. > > If you manage to get performance numbers with the above, please provide > them, here for the sake of completeness. I would be surprised if VS2010 > would outperform gcc 4.7, though. > > Cheers, > > -- > Szilárd > > > On Wed, Feb 27, 2013 at 8:31 PM, Mirco Wahab < > mirco.wa...@chemie.tu-freiberg.de> wrote: > >> Out of curiosity, I installed cygwin 1.7.17-1 on my AMD/FX-8350 >> workplace box (W8Pro/x64). This is what I found out: >> >> - Gromacs 4.6 compiles smooth but crashes w/native(AVX_128) on >> simulation start with loads of fp errors (non-reproducible, >> sometimes stops w/no error at all, just stops) >> >> - Gromacs 4.6 runs fine if compiled w/GMX_CPU_ACCELERATION=SSE2, >> even if PME involved (see below) >> >> - Gromacs shared executables (runtime-dlls) didn't start due to >> some erratic dlopen problems with I didn't understand. By >> using GMX_PREFER_STATIC_LIBS=ON, this was solved >> >> I testet a "Martini"-system of ~1 Mio particles (a 50^3nm water >> box with a vesicle). Performance comparison: >> >> VS2010(x64) - md/cut-off/Reaction-Field : 37.460 ns/day >> cygwin/gcc 4.5.3 - md/cut-off/Reaction-Field : 30.304 ns/day >> >> VS2010(x64) - md/cut-off/PME : 10.874 ns/day >> cygwin/gcc 4.5.3 - md/cut-off/PME : 9.283 ns/day >> >> The fftw3f used was installed before from source. I'll attach >> a recipe for both builds and some more hints below. >> >> Resumé: cygwin installation of Gromacs 4.6 is (still) cumbersome >> and may throw up suprising errors. For windows users, looks much >> more promising (imho!) to build Gromacs with the Visual Studio >> compiler (which is, through combination of VS2010 express + >> SDK 7.1, free of cost). >> >> "works on my machine"-instructions: => >> >> >> -- >> 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
