[gmx-users] serial gromacs on windows
vvchaban at gmail.com
Fri May 6 02:01:06 CEST 2011
On Thu, May 5, 2011 at 7:23 PM, Peter C. Lai <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....
Dr. Vitaly V. Chaban, Department of Chemistry
University of Rochester, Rochester, New York 14627-0216
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