[gmx-developers] Not able to run Gromacs using GPUs

Thomas John thomasjohn1993 at gmail.com
Wed Oct 25 04:40:26 CEST 2017

Hi all!

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:
      unknown error
      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:


Any suggestions will be appreciated!


Thomas Alumoottil
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