[gmx-users] installation of gromacs on windows using cygwin

bharat gupta bharat.85.monu at gmail.com
Fri Nov 5 12:48:11 CET 2010

I followed the same instructions given in the gromacs manual , step by step
... I first tried installing gromacs with the first command given in the
manual and then again I installed with the options for FLAGS but finally
ended up with the following error in both the above mentioned conditions :-

checking dynamic linker characteristics... Win32 ld.exe
checking how to hardcode library paths into programs... immediate
appending configuration tag "F77" to libtool
checking for special C compiler options needed for large files... no
checking for _FILE_OFFSET_BITS value needed for large files... no
checking for _LARGEFILE_SOURCE value needed for large files... no
checking for sqrt in -lm... yes
checking for fftw3.h... configure: error: Cannot find the default external
ibrary (fftw3).
Other alternatives are 'fftw2', or 'mkl' for Intel MKL.
You are STRONGLY recommended to use one of these - fftw is free.

Use CPPFLAGS and LDFLAGS if the library is installed in a
non-standard location. (see FAQ at http://www.gromacs.org)

If you dont care about performance you can also specify 'fftpack'
to use a slower set of FFTs built into Gromacs.
(Just install FFTW3 unless you really know what you are doing).

I have installed fftw2.1.5  ...

Pls help me rectify the error

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