[gmx-users] serial gromacs on windows

Mark Abraham Mark.Abraham at anu.edu.au
Fri May 6 08:06:43 CEST 2011

On 6/05/2011 10:01 AM, Vitaly Chaban wrote:
> On Thu, May 5, 2011 at 7:23 PM, Peter C. Lai <pcl at uab.edu 
> <mailto:pcl at uab.edu>> wrote:
>     On 2011-05-05 03:22:14PM -0500, Vitaly Chaban wrote:
>     > Hey,
>     >
>     > Could anybody share the executable of gromacs 4.X.X for windows,
>     please?
>     >
>     > On a related note, if the procedure of compilation is available,
>     why not to put the resulting executable(s) for download?
>     > http://www.gromacs.org/Downloads/Installation_Instructions/Windows
>     >
>     Not sure if it will help, as you will still need to figure out how to
>     get the FFTW libraries on there, and then gromacs would have had to be
>     (re)compiled so it knew where to locate them. Plus how to define
>     whether
>     you wanted 32bit or 64bit and single vs. double precision. IMO
>     there are
>     just way too many permutations to provide binaries for all of
>     them, even
>     if it was statically linked to fftw.
>     Anyway, there are no binaries for any other platforms to download
>     either
>     (so it's not like it's a windows-specific observation).
> For teaching purposes, it would be really great to have a line of 
> statically linked windows versions. Even if it the only default 
> executable per version, i.e. single-precision, 32-bit, so on....

Sure, but it's work to set up and maintain a database of relocatable 
binaries, and it creates the expectation that it will be done for more 
platforms... Someone who values it would have to take responsibility for 
it :-)

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