<div>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 :-</div>
<div><br></div><div><div>checking dynamic linker characteristics... Win32 ld.exe</div><div>checking how to hardcode library paths into programs... immediate</div><div>appending configuration tag "F77" to libtool</div>
<div>checking for special C compiler options needed for large files... no</div><div>checking for _FILE_OFFSET_BITS value needed for large files... no</div><div>checking for _LARGEFILE_SOURCE value needed for large files... no</div>
<div>checking for sqrt in -lm... yes</div><div>checking for fftw3.h... configure: error: Cannot find the default external FFT l</div><div>ibrary (fftw3).</div><div>Other alternatives are 'fftw2', or 'mkl' for Intel MKL.</div>
<div>You are STRONGLY recommended to use one of these - fftw is free.</div><div><br></div><div>Use CPPFLAGS and LDFLAGS if the library is installed in a</div><div>non-standard location. (see FAQ at <a href="http://www.gromacs.org">http://www.gromacs.org</a>)</div>
<div><br></div><div>If you dont care about performance you can also specify 'fftpack'</div><div>to use a slower set of FFTs built into Gromacs.</div><div>(Just install FFTW3 unless you really know what you are doing).</div>
</div><div><br></div><div><br></div><div>I have installed fftw2.1.5 ...</div><div><br></div><div><br></div><div>Pls help me rectify the error</div><div><br></div><div><br></div>-- <br>Bharat<br>Ph.D. Candidate<br>Room No. : 7202A, 2nd Floor<br>
Biomolecular Engineering Laboratory<br>Division of Chemical Engineering and Polymer Science<br>Pusan National University<br>Busan -609735<br>South Korea<br>Lab phone no. - +82-51-510-3680, +82-51-583-8343<div>Mobile no. - 010-5818-3680<br>
E-mail : <a href="mailto:monu46010@yahoo.com" target="_blank">monu46010@yahoo.com</a></div><br>