[gmx-users] Windows installation

Bill Maier willardmaier at sbcglobal.net
Mon Sep 7 00:04:43 CEST 2009

That worked! Thanks Justin. I have other errors now, but I'll try to 
work through them.

Justin A. Lemkul wrote:
> Bill Maier wrote:
>> I'm trying to install Gromacs 4.0.5 on Windows Vista. I've 
>> successfully run the install/make for fftw 3.2.2, but when I run 
>> configure for gromacs I get this error message:
>> "configure: error: Cannot find fftw3f library"
>> I notice that the error message has fftw3f with an f on the end, but 
>> when I look in the fftw installation directory, the library files for 
>> fftw are named fftw3, with no f. I'm not sure if I should try to 
>> change the gromacs configure script or if fftw didn't build 
>> correctly. I tried building fftw by specifying an install directory 
>> with --prefix, and also tried it by letting it go to the default 
>> directory, with the same error message. Does anyone have any 
>> experience with this?
> Looks like you've only installed the double-precision libraries.  Use 
> --enable-float when configuring FFTW to get them in single precision.
> Also be sure to set LDFLAGS and CPPFLAGS appropriately when 
> configuring Gromacs, so its configuration can find the location of the 
> FFTW libraries and headers.
> -Justin
>> Willard Maier
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