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