[gmx-users] gromacs fftw installation

[Christoph Junghans]

> Date: Fri, 6 May 2016 18:05:21 +1000
> From: Neha Gandhi <n.gandhiau at gmail.com>
> To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> Subject: [gmx-users] gromacs fftw installation
> Message-ID:
>         <CA+Hq8Hxkc8q0veXzt9hwoYiB1JcjtKS7DZ4tKcPe2gji7M7hBw at mail.gmail.com>
> Content-Type: text/plain; charset=UTF-8
>
> Dear List,
>
> I am trying to install gromacs on a machine which is not allowed to connect
> to the internet.
> I have installed fftw in a directory /home/gandhin/fftw using --enable-float
>
> I am trying to install gromacs but it always tries to download fftw and
> therefore the installation ends up in error.
>
> I am using following command
> CMAKE_PREFIX_PATH=/home/gandhin/fftw-3.3.3/ cmake ..
> -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=on -DGMX_GPU=on -DGMX_SIMD=NONE
> -DCMAKE_C_COMPILER=${MPICCDIR}mpicc -DCMAKE_CXX_COMPILER=${MPICCDIR}mpicxx
> -DCMAKE_INSTALL_PREFIX=/home/gandhin/gromacs-5.0.7
Just download fftw-3.3.3.tar.gz manually from http://www.fftw.org and
refer cmake to it using e.g.
-DGMX_BUILD_OWN_FFTW_URL=/path/to/fftw-3.3.3.tar.gz

Christoph

>
> Any suggestion would be helpful.
>
>
> --
> Regards,
> Dr. Neha S. Gandhi,
> Vice Chancellor's Research Fellow,
> Queensland University of Technology,
> 2 George Street, Brisbane, QLD 4000
> Australia
> LinkedIn
> Research Gate
>
>

-- 
Christoph Junghans
Web: http://www.compphys.de