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

Schulz, Roland roland.schulz at intel.com
Tue Sep 10 19:50:29 CEST 2019


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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