Dear Ryan,
On Thu, Jan 30, 2020 at 11:31 PM Ryan Woltz wrote:
> Dear Szilárd,
>
> Thank you so much for your help. I performed the following steps
> and it seems to have built successfully, I'll let you know if it does not
> run correctly as well.
>
> rm -r gromacs-2020/
> sudo apt-get
Dear Szilárd,
Thank you so much for your help. I performed the following steps
and it seems to have built successfully, I'll let you know if it does not
run correctly as well.
rm -r gromacs-2020/
sudo apt-get install gcc-8 g++-8
tar -xvzf gromacs-2020.tar.gz
cd gromacs-2020/
mkdir build
Dear Ryan,
On Wed, Jan 29, 2020 at 10:35 PM Ryan Woltz wrote:
> Dear Szilárd,
>
> Thank you for your quick response. You are correct, after
> issuing sudo apt-get install gcc-9 g++-9 CMake was run with:
>
gcc 9 is not supported with CUDA, as far as I know version 8 is the latest
suppor
Dear Szilárd,
Thank you for your quick response. You are correct, after
issuing sudo apt-get install gcc-9 g++-9 CMake was run with:
CMAKE_PREFIX_PATH=/usr/:/usr/local/cuda/ cmake ../ -DGMX_BUILD_OWN_FFTW=ON
-DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=ON
-DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cud
Hi Ryan,
The issue you linked has been worked around in the build system, so my
guess is that the issue you are seeing is not related.
I would recommend that you update your software stack to the latest version
(both CUDA 9.1 and gcc 5 are a few years old). On Ubuntu 18.04 you should
be able to g
Hello Gromacs experts,
First things first, I apologize for any double post but I just
joined the community so I'm very new and only found 1-2 posts related to my
problem but the solutions did not work. I have been doing MD for about
6-months using NAMD but want to also try out Gromacs. T
