[gmx-users] Windows installation
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.
>> Willard Maier
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