[gmx-users] Gromacs 4.6 Installation under Cygwin

Mirco Wahab mirco.wahab at chemie.tu-freiberg.de
Sat Feb 23 03:41:37 CET 2013

On 23.02.2013 01:59, toma0052 at umn.edu wrote:
> Hello,
>      I am trying to install Gromacs 4.6 on a Windows workstation under
> cygwin. After I install everything, when executing g_luck I come up with
> the error:
> 'error while loading shared libraries: cyggmx-6.dll: cannot open shared
> object file: No such file or directory'
>      There does exist the file cyggmx-6.dll in /usr/local/gromacs/lib
> and I have tried: export LD_LIBRARY_PATH=/usr/local/gromacs/lib as well
> as using the flag -BUILD_SHARED_LIBS=OFF with cmake, but neither seem to
> help. What could be the cause of this?

For cygwin, you need to have the .dll directory path,
which  is located at the position given by:

   -DCMAKE_INSTALL_PREFIX=/my/install/path  trailed by /lib

in your PATH variable:

   PATH=/my/install/path/lib:$PATH   mdrun

(or set it permanent somewhere)

BTW: with the current cygwin (1.7.17-1), Gromacs 4.6 *does*
indeed compile fine:

-DGMX_BUILD_OWN_FFTW=OFF  ../gromacs-4.6

and, more interestingly, runs multithreaded at similar
performance as compiled with visual studio (tested on Win8/x64).

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