[gmx-users] FW: Problem installing Gromacs: What next?

Justin A. Lemkul jalemkul at vt.edu
Tue Mar 20 03:17:45 CET 2012

Suhaila Haji Mohd Hussin wrote:
> Hello.
> I tried the following
> export CPPFLAGS="-I/home/joe/programs/fftw/include"
> export LDFLAGS="-L/home/joe/programs/fftw/lib"

These are merely examples, you should not use these exact commands but should 
instead substitute the proper locations for your filesystem.

> then
> ./configure --with-fft=fftw3|
> And it still gives me the same error
> configure: error: Cannot find fftw3f library.

Where are your fftw libraries located?  Did their installation succeed and can 
you locate them within the filesystem?



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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