[gmx-developers] Not able to run Gromacs using GPUs
thomasjohn1993 at gmail.com
Wed Oct 25 04:40:26 CEST 2017
I am new to the forum. I am trying to get Gromacs running on GPUs but it
seems its not detecting the boards. I keep getting the error :
Error occurred during GPU detection:
Can not use GPU acceleration, will fall back to CPU kernels.
I am pretty sure that I have installed the GPU version of gromacs
correctly. During cmake, I used the command:
cmake .. -DGMX_GPU=ON -DGMX_MPI=ON -DGMX_BUILD_OWN_FFTW=ON
Any suggestions will be appreciated!
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