[gmx-users] Gromacs 4.6 Installation under Cygwin

Szilárd Páll szilard.pall at cbr.su.se
Sun Feb 24 13:15:21 CET 2013

On Sat, Feb 23, 2013 at 3:41 AM, Mirco Wahab <
mirco.wahab at chemie.tu-freiberg.de> wrote:

> 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:
> cmake  -DCMAKE_INSTALL_PREFIX=/usr/**local -DGMX_GPU=OFF
> -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).

Thanks for the feedback! Would you mind adding the information on the wiki.
It could help many others in getting GROMACS to work with cygwin and we
have no development of testing that covers that platform - at least not
that I know of.


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