Suhaila Haji Mohd Hussin wrote:
OK. I downloaded Gromacs 4.5.5. Unpacked it then type
./configure
configure: error: Cannot find fftw3f library
But I already install fftw3 properly.
What is happening?
The commands below will install double-precision fftw, but Gromacs is single
precision by default. The precisions must match. The proper commands for fftw
in this case (as noted on
http://www.gromacs.org/Documentation/Installation_Instructions#Details_for_building_the_FFTW_prerequisite)
would be:
./configure --enable-float
make
make install
-Justin
Cheers,
Suhaila.
From: bell_beaut...@hotmail.com
To: gmx-users@gromacs.org
Subject: Problem installing Gromacs: What next?
Date: Mon, 19 Mar 2012 05:53:20 +1200
Hello.
I already installed fftw3. After unpacking it, I install via the following:
./configure
make
make install
But after that the instructions are not clear to me. Like, it's not
telling where do I download Gromacs tar?
Or do I need to type some command from fftw so that Gromacs should
automatically built?
I'm so confused. The instructions for beginners are very vague &
frustrating.
Please help,
Suhaila.
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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