diff --git a/cp2k/README.md b/cp2k/README.md index 8c38faa7a0a893512e2833ea7bfa02f1d038bd00..104ad1ebd734b20fc3f15f6073ba569c8fde9ee5 100644 --- a/cp2k/README.md +++ b/cp2k/README.md @@ -101,7 +101,7 @@ If you are linking to Intel's MKL library to provide LAPACK, BLAS, SCALAPACK and See the ``PizDaint`` subdirectory for an example arch file that enables GPU acceleration with CUDA. The ``-arch`` NVIDIA flag should be adjusted to choose the right option for the particular Nvidia GPU architecture in question. For example ``-arch sm35`` matches the Tesla K40 and K80 GPU architectures. -## Running the UEABS benchmarks +## 5. Running the UEABS benchmarks **The exact input files used to generate the results presented in deliverable D7.5 are included in machine-specific subdirectories accompanying this README** After building the hybrid MPI+OpenMP version of CP2K you have an executable ending in `.psmp`. The general way to run the benchmarks with the hybrid parallel executable is, e.g. for 2 threads per rank: