Hi,
The more simple way to cater for all possibilities is to configure with GPU
support the first time. mdrun observes whether there are actually GPUs at
run time and executes accordingly. But as Justin says, this requires that
you install CUDA when you might not use it, which is usually more
inco
On 3/15/17 8:43 AM, Andrew Bostick wrote:
Dear Gromacs users,
I had installed gromacs using following commands:
tar xvf cmake-3.6.1.tar.gz
tar xvzf gromacs-5.1.3.tar.gz
cd ../cmake-3.6.1.
./configure
make
make install
cd ../gromacs-5.1.3
mkdir build
cd build
cmake .. -DGMX_BUILD_OWN_FFTW=ON
http://manual.gromacs.org/documentation/2016/install-guide/index.html#cuda-gpu-acceleration
--
Szilárd
On Wed, Aug 10, 2016 at 11:47 AM, Atila Petrosian
wrote:
> *Dear* *Szilárd, *
>
> *Thanks for your answer,*
>
>> There's the issue. You need to tell the build
>
>> system where CUDA is, e.g. b
On Tue, Aug 9, 2016 at 2:06 PM, Atila Petrosian
wrote:
> Dear gromacs users,
>
> I am installing gromacs in my system. My computational system is Rocks
> 6.1.1.
>
> I encountered with following:
>
> [root@me build]# cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_GPU=ON
>
> -- The C compiler
Dear Atila,
You need to install CUDA toolkit to access the GPU facility .you can get it
from here https://developer.nvidia.com/cuda-toolkit
GeForce GTX 480
Is an old card,i dont know how much you can achieve using this .
--
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