[CP2K-user] [CP2K:17933] Build CP2K with Intel MPI, MKL and Nvidia GPU acceleration

[jerryt...@gmail.com]

Dear Forum,
Has anyone had experience building CP2K with GPU acceleration using Intel 
MPI,  MKL and Nvidia GPUs?  I have a version using GNU compilers with Intel 
MKL and CUDA for Nvidia GPU acceleration, but I would like to compare this 
build to an Intel MPI, MKL build with Nvidia GPU acceleration.  I have been 
trying an OpenCL build, but have not had success yet.

Thank you,
Jerry

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