[gmx-users] GPU not found

Albert mailmd2011 at gmail.com
Tue May 13 11:18:14 CEST 2014


I compiled Gromacs in a GPU machine with two GTX780Ti with following

env CC=icc F77=ifort CXX=icpc
CMAKE_PREFIX_PATH=/soft/intel/mkl/include/fftw:/soft/intel/impi/ cmake ..

however, when I try to run some jobs, it failed with messages:

NOTE: Error occurred during GPU detection:
      no CUDA-capable device is detected
      Can not use GPU acceleration, will fall back to CPU kernels.

Reading file 4.tpr, VERSION 4.6.5 (single precision)
Using 1 MPI process
Using 20 OpenMP threads

thank you very much.


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