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

[Justin A. Lemkul]

Please be sure to keep the discussion on the mailing list and not my personal email.

You may need to specify the location of the fftw installation using LDFLAGS and 
CPPFLAGS for the libraries and headers, respectively.  See example usage at:

http://www.gromacs.org/Documentation/Installation_Instructions#Using_autoconf

-Justin

Suhaila Haji Mohd Hussin wrote:
> 
>  > Date: Sun, 18 Mar 2012 14:13:29 -0400
>  > From: jalemkul at vt.edu
>  > To: gmx-users at gromacs.org
>  > Subject: Re: [gmx-users] FW: Problem installing Gromacs: What next?
>  >
>  >
>  >
>  > 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_beauty12 at hotmail.com
>  > > To: gmx-users at 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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> 
> It's still giving me the same error :(
> 
> 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

========================================