rename Kokkos::gpu_direct to Kokkos::gpu_direct_flag
This is for consistency with other parts of LAMMPS where such variables have "flag" in their name. Also reduces confusion with have_gpu_direct() function. When we can safely detect, that GPU-direct is not available, change the default setting of Kokkos::gpu_direct_flag from 1 to 0
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@ -512,9 +512,12 @@ this keyword is set to {on}, buffers in GPU memory are passed directly
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through MPI send/receive calls. This reduces overhead of first copying
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the data to the host CPU. However GPU-direct is not supported on all
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systems, which can lead to segmentation faults and would require
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using a value of {off}. When the {gpu/direct} keyword is set to {off}
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while any of the {comm} keywords are set to {device}, the value for the
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{comm} keywords will be automatically changed to {host}.
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using a value of {off}. If LAMMPS can safely detect that GPU-direct is
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not available (currently only possible with OpenMPI v2.0.0 or later),
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then the {gpu/direct} keyword is automatically set to {off} by default.
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When the {gpu/direct} keyword is set to {off} while any of the {comm}
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keywords are set to {device}, the value for these {comm} keywords will
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be automatically changed to {host}.
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:line
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@ -624,6 +627,8 @@ switch"_Section_start.html#start_6.
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For the KOKKOS package, the option defaults neigh = full, neigh/qeq =
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full, newton = off, binsize = 0.0, and comm = device, gpu/direct = on.
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When LAMMPS can safely detect, that GPU-direct is not available, the
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default value of gpu/direct becomes "off".
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These settings are made automatically by the required "-k on"
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"command-line switch"_Section_start.html#start_6. You can change them by
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using the package kokkos command in your input script or via the "-pk
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