PS: When it comes to installing a FFT library to compile a native binary, in my experience the two easiest choices are: - If you anyhow use ICC then to use MKL instead of FFTW not requiring any extra steps - Otherwise use the FFTW3 port from vcpkg. Just make sure to enable AVX/AVX2
Roland > -----Original Message----- > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf Of > Schulz, Roland > Sent: Tuesday, September 10, 2019 10:49 AM > To: gmx-us...@gromacs.org; Tatsuro MATSUOKA <tmaccha...@yahoo.co.jp> > Cc: gromacs.org_gmx-users@maillist.sys.kth.se > Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64) > > I'm curious: is there any advantage of using Cygwin over using WSL > (https://docs.microsoft.com/en-us/windows/wsl/install-win10) for using > GROMACS? > If you use WSL than installing GROMACS on Windows is trivial. > > MSVC has also AVX512 support: > https://devblogs.microsoft.com/cppblog/microsoft-visual-studio-2017- > supports-intel-avx-512/ > https://github.com/MicrosoftDocs/cpp-docs/issues/1078 > > I haven't tested whether AVX2 or AVX512 works correctly with MSVC. > > Also note that it's possible to produce native Windows binaries (without a > dependency on Cygwin/Mingw/WSL) compiled for AVX2 and AVX512 with > LLVM and ICC: > https://github.com/boostorg/hana/wiki/Setting-up-Clang-on- > Windows#visual-studio-2015-with-clangllvm-clang-cl > https://software.intel.com/en-us/system-studio/choose-download > > Roland > > > -----Original Message----- > > From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se > > [mailto:gromacs.org_gmx-users-boun...@maillist.sys.kth.se] On Behalf > > Of Szilárd Páll > > Sent: Tuesday, September 10, 2019 2:21 AM > > To: Discussion list for GROMACS users <gmx-us...@gromacs.org>; Tatsuro > > MATSUOKA <tmaccha...@yahoo.co.jp> > > Cc: gromacs.org_gmx-users@maillist.sys.kth.se > > Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64) > > > > Dear Tatsuro, > > > > Thanks for the contributions! > > > > Do the builds work out cleanly on cygwin? Are there any additional > > instructions we should consider including in our installation guide? > > > > Cheers, > > -- > > Szilárd > > > > On Fri, Sep 6, 2019 at 5:46 AM Tatsuro MATSUOKA > > <tmaccha...@yahoo.co.jp> wrote: > > > > > > I have prepared gromacs binaries for windows (Cygwin 64) on my own > > > web > > site. > > > (For testing purpose.) > > > > > > http://tmacchant3.starfree.jp/gromacs/win/ > > > > > > Tatsuro > > > > > > -- > > > Gromacs Users mailing list > > > > > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > posting! > > > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > > > * For (un)subscribe requests visit > > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users > > > or > > send a mail to gmx-users-requ...@gromacs.org. > > -- > > Gromacs Users mailing list > > > > * Please search the archive at > > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > > posting! > > > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > > * For (un)subscribe requests visit > > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > > send a mail to gmx-users-requ...@gromacs.org. > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send > a mail to gmx-users-requ...@gromacs.org. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.