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

Tatsuro MATSUOKA tmacchant3 at yahoo.co.jp
Wed Sep 11 04:48:43 CEST 2019


Thanks for comments.


> 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.

First "Notes for Cygwin build"
I mentioned WSL build as :

On Windows 10 64bit, one of the efficient method to build GROMACS is to 
use the WSL (Windows Subsystem for Linux). Information of setting up the WSL and building steps of GROMACS on the WSL can be found by search 
engines (e. g. Google). Building GROMACS on Cygwin is sometimes useful 
because binaries can be portable.

I now added MSVC compiled binaries not using icc. 
At this moment I can only use AVX but not AVX2, AVX512.


Tatsuro


----- Original Message -----
> From: "Schulz, Roland" <roland.schulz at intel.com>
> To: "gmx-users at gromacs.org" <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: 2019/9/11, Wed 02:49
> 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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