----- Original Message ----- From: ahmet yıldırım <[email protected]> Date: Tuesday, October 5, 2010 17:41 Subject: Re: [gmx-users] resolved pdm2gmx To: Discussion list for GROMACS users <[email protected]>
> Dear Dr. Abraham, > > I have been trying to install gromacs-4.5.1 for a week but I could not it. I > review the installation instructions step by step, but I failed again. > > 1. I installed fftw-3.2.2 as following > > a...@ab-desktop:~/Masaüstü/ cd fftw-3.2.2 > a...@ab-desktop:~/Masaüstü/fftw-3.2.2 > a...@ab-desktop:~/Masaüstü/fftw-3.2.2 ./configure --enable-threads > --enable-float > a...@ab-desktop:~/Masaüstü/fftw-3.2.2 make > a...@ab-desktop:~/Masaüstü/fftw-3.2.2 make install > In this way, Gromacs-4.5.1 installed /usr/local/gromacs directory-(I have > root permissions to write there) > 2. I installed gromacs-4.5.1 as folowing > > a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 > ./configure > a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 make > a...@ab-desktop:~/Masaüstü/gromacs-4.5.1 sudo make install > In this way, FFTW-3.2.2 installed /usr/local/include and /usr/local/bin > directories--(I have root permissions to write there) > > You said: > This set of instructions will not use the above FFTW in GROMACS. The > configure command is inappropriate. Please see the installation guide for > the proper approach. > Can you tell me my mistake? You need (at least) "configure --with-fft=fftw3" and a suitably configured environment. See http://www.gromacs.org/index.php?title=Download_%26_Installation/Installation_Instructions Mark
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