[gmx-users] How to provide the FFTW3 install directory
Ly Minh Nhat
ganuongphap at gmail.com
Mon Mar 31 12:34:04 CEST 2014
I downloaded the fftw and gromacs tar file to the desktop, extract them in
desktop. I install fftw by ./configure, make and make install, so I (quite)
sure that the directory of fftw3 is Desktop/fftw3.3.4
I also try Desktop/fftw3.3.4, /home/ooker/Desktop/fftw3.3.4 as your
suggestion, but it still doesn't work. And yes, I delete the build folder
each time I try to install it.
On Mon, Mar 31, 2014 at 4:53 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> 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
>> .. -DCMAKE_PREFIX_PATH=~/Desktop/fftw3.3.4 still give me the same error
>> 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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