[gmx-users] How to provide the FFTW3 install directory

Justin Lemkul jalemkul at vt.edu
Mon Mar 31 11:54:57 CEST 2014

On 3/31/14, 2:32 AM, Ly Minh Nhat wrote:
> Sorry, let me make it be clear.
> Because using gromacs 4.6 gives me an error, so I want to try the older or
> newer version. I have the 4.5.7 and 5.0 beta2 version, also have fftw3.3.4
> and MKL 11.1 in my desktop, all is downloaded from original sites.
> Everything is normal when I install fftw3, I don't see any error. I think
> ~/Desktop/fftw3.3.4 is my path to fftw.

Knowing is better than thinking.  You need to be absolutely sure or anything 
else you do is pointless.

> So I go to gromacs folder, make a build folder. But using cmake .. or cmake
> .. -DCMAKE_PREFIX_PATH=~/Desktop/fftw3.3.4 still give me the same error (in
> the first message).

Are you starting from a clean build directory each time?  Have you tried using 
the explicit path rather than starting with ~/ ?  I don't know that it would 
cause a problem, but it's worth a shot.



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441


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