[gmx-users] gromacs fftw installation

Neha Gandhi n.gandhiau at gmail.com
Fri May 6 10:05:24 CEST 2016


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

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


More information about the gromacs.org_gmx-users mailing list