UILD_OWN_FFTW=ON
make
sudo make install
And add the /usr/local/gromacs/bin/ directory to my path.
I am still trying to fix the issues with the intel compiler. The gcc compiled
version benchmark at 52ns/day with the lysozyme in water tutorial.
Thanks again.
____
Hello everybody,
Does anyone have any recommendation regarding the installation of gromacs 4.6
on Ubuntu 12.04? I have the nvidia-cuda-toolkit that comes in synaptic
(4.0.17-3ubuntu0.1 installed in /usr/lib/nvidia-cuda-toolkit) and the drivers
304.88.
Apparently, this is not compatible with gcc
Hello,
I am assembling a GPU workstation to run MD simulations, and I was wondering if
anyone has any recommendation regarding the GPU/CPU combination.
From what I can see, the GTX690 could be the best bang for my buck in terms of
number of cores, memory, clock rate. But being a dual GPU card,
3 matches
Mail list logo