[gmx-users] gromacs binaries for windows (Cygwin 64)

[Schulz, Roland]

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-bounces at maillist.sys.kth.se
> [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of
> Schulz, Roland
> Sent: Tuesday, September 10, 2019 10:49 AM
> To: gmx-users at gromacs.org; Tatsuro MATSUOKA <tmacchant3 at yahoo.co.jp>
> Cc: gromacs.org_gmx-users at 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-bounces at maillist.sys.kth.se
> > [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf
> > Of Szilárd Páll
> > Sent: Tuesday, September 10, 2019 2:21 AM
> > To: Discussion list for GROMACS users <gmx-users at gromacs.org>; Tatsuro
> > MATSUOKA <tmacchant3 at yahoo.co.jp>
> > Cc: gromacs.org_gmx-users at 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
> > <tmacchant3 at 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
> > >
> > > --
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