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

[Schulz, 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
> Tatsuro MATSUOKA
> Sent: Tuesday, September 10, 2019 8:26 PM
> To: gmx-users at gromacs.org; Szilárd Páll <pall.szilard at gmail.com>;
> 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)
> 
> Sorry I wrote the previous mail without revise.
> 
> 
> Thank you for your comments.
> As in message in the cmake configure process, gcc on 64 bit windows is buggy
> for AVX simd instruction.

Correct. But that is a GCC bug (https://gcc.gnu.org/bugzilla/show_bug.cgi?id=54412) 
With ICC, MSVC, and Clang the problem doesn't exist.
 
> 1. I cannot use -DGMX_BUILD_OWN_FFTW=ON. I used FFTW on Cygwin
> repo.
Correct. This option isn't intended for anything other than Linux.

> 2. With AVX I could  Gromacs 2018 or later but binary are broken.
> With SSE simd instruction, Gromacs works all versions Usable binary with AVX
> can be build on Gromacs 2016 or before.
Are you referring to AVX with GCC on Win64? Or do you have issues with AVX with any other compiler or OS?

> Please also see Notes for Cygwin build
> (http://tmacchant3.starfree.jp/gromacs/win/notes_cygwin.html) on my

Roland

> web site.
> 
> Now I added MSVC binary (http://tmacchant3.starfree.jp/gromacs/win) and
> Notes for MSVC build
> (http://tmacchant3.starfree.jp/gromacs/win/notes_MSVC.html).
> 
> Tatsuro
> 
> 
> 
> ----- Original Message -----
> > From: Tatsuro MATSUOKA <tmacchant3 at yahoo.co.jp>
> > To: Szilárd Páll <pall.szilard at gmail.com>; Discussion list for GROMACS
> > users <gmx-users at gromacs.org>
> > Cc: "gromacs.org_gmx-users at maillist.sys.kth.se"
> > <gromacs.org_gmx-users at maillist.sys.kth.se>
> > Date: 2019/9/11, Wed 11:54
> > Subject: Re: [gmx-users] gromacs binaries for windows (Cygwin 64)
> >
> >T hank you for your comments.
> > As in cmake configure process, gcc on 64 bit windows is buggy for AVX
> >simd  instruction.
> >
> >
> > 1. I cannot use -DGMX_BUILD_OWN_FFTW=ON. I used FFTW on Cygwin
> repo.
> > 2. With AVX I could  Gromacs 2018 or later but binary are broken before.
> > Usable binary can be Gromacs 2016 or before.
> >
> > Please also SEE Notes on my web site.
> >
> > Now I adde MSVC binary.
> >
> >
> > Tatsuro
> >
> >
> >
> >
> > ----- Original Message -----
> >>  From: Szilárd Páll <pall.szilard at gmail.com>
> >>  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"
> > <gromacs.org_gmx-users at maillist.sys.kth.se>
> >>  Date: 2019/9/10, Tue 18:21
> >>  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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> >
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