diff --git a/README.md b/README.md index 6dfc968..7e2e852 100644 --- a/README.md +++ b/README.md @@ -52,8 +52,9 @@ git clone https://github.com/kokkos/kokkos ~/kokkos ExaMiniMD utilizes the standard GNU Make build system of Kokkos. For detailed information about the Kokkos build process please refer to documentation of Kokkos at github.com/kokkos/kokkos -ExaMiniMD requires Kokkos version 2.03 (April 2017) as a minimum. -Here are some quickstart information which assume that Kokkos was +ExaMiniMD requires Kokkos version 2.6.00 (March 2018) as a minimum. +ExaMiniMD requires a C++11 compiler. Here is some quickstart +information which assume that Kokkos was cloned into ${HOME}/kokkos (see above) and you are in the "src" directory: @@ -82,13 +83,18 @@ IBM Power8 CPU + NVIDIA P100 / CUDA / MPI (OpenMPI) Currently ExaMiniMD can only get input from LAMMPS input files with a restricted set of LAMMPS commands. An example input file is provided in the -input directory. Assuming you build in the src directory run: +input directory. Assuming you build in the src directory: To run 2 MPI tasks, with 12 threads per task: ``` mpirun -np 2 -bind-to socket ./ExaMiniMD -il ../input/in.lj --comm-type MPI --kokkos-threads=12 ``` +To run 2 MPI tasks, with 1 GPU per task: +``` +mpirun -np 2 -bind-to socket ./ExaMiniMD -il ../input/in.lj --comm-type MPI --kokkos-ndevices=2 +``` + To run in serial, writing binary output every timestep to ReferenceDir ``` ./ExaMiniMD -il ../input/in.lj --kokkos-threads=1 --binarydump 1 ReferenceDir