> Date: Mon, 04 Feb 2013 15:32:17 -0500 > From: Justin Lemkul <jalem...@vt.edu> > Subject: Re: [gmx-users] gromacs-4.6.tar.gz installation question > To: Discussion list for GROMACS users <gmx-users@gromacs.org> > Message-ID: <51101ad1.3000...@vt.edu> > Content-Type: text/plain; charset=ISO-8859-1; format=flowed > > > > On 2/4/13 3:30 PM, jeela keel wrote: >> *Dear All, >> >> I am trying to install gromacs, I dowloaded >> **gromacs-4.6.tar.gz<ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.tar.gz>and >> following the instruction in the following website >> http://www.gromacs.org/Documentation/Installation_Instructions#4._Doing_a_build_of_GROMACS >> >> I read the instraction but I am still kind of confused. Do I need to >> download both FFTW and CMake or just choose one of them for the gromacs >> installation? > > Both. FFTW is used for Fourier transforms. CMake is the compiler that builds > the software. > >> Also can I use FTTW >> **fftw-2.1.5.tar.gz<ftp://ftp.fftw.org/pub/fftw/fftw-2.1.5.tar.gz>instead >> of >> **fftw-3.3.3.tar.gz <ftp://ftp.fftw.org/pub/fftw/fftw-3.3.3.tar.gz> becuase >> I also want to download Lammps in my computer that can only use fftw 2.1.5 >> > > We always advise using the newest version. There is no problem at all in > maintaining different versions in different locations. In Gromacs-4.6 we have dropped support for fftw-2, which is legacy for nearly 13 years now, so you will need to install fftw-3 and btw. lammps supports fftw3 since Aug 2011.
An alternative is to use gromacs build-in fftw (GMX_BUILD_OWN_FFTW=ON). Christoph > > -Justin > > -- > ======================================== > > Justin A. Lemkul, Ph.D. > Research Scientist > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > > -- Christoph Junghans Web: http://www.compphys.de -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists