forked from lijiext/lammps
replace non-ASCII quotation marks with ASCII equivalent
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@ -326,9 +326,9 @@ include both "Cuda" and "OpenMP", as is the case for /src/MAKE/OPTIONS/Makefile.
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KOKKOS_DEVICES=Cuda,OpenMP :pre
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The suffix “/kk” is equivalent to “/kk/device”, and for Kokkos CUDA,
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using the “-sf kk” in the command line gives the default CUDA version everywhere.
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However, if the “/kk/host” suffix is added to a specific style in the input
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The suffix "/kk" is equivalent to "/kk/device", and for Kokkos CUDA,
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using the "-sf kk" in the command line gives the default CUDA version everywhere.
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However, if the "/kk/host" suffix is added to a specific style in the input
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script, the Kokkos OpenMP (CPU) version of that specific style will be used instead.
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Set the number of OpenMP threads as "t Nt" and the number of GPUs as "g Ng"
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@ -338,16 +338,16 @@ For example, the command to run with 1 GPU and 8 OpenMP threads is then:
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mpiexec -np 1 lmp_kokkos_cuda_openmpi -in in.lj -k on g 1 t 8 -sf kk :pre
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Conversely, if the “-sf kk/host” is used in the command line and then the
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“/kk” or “/kk/device” suffix is added to a specific style in your input script,
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Conversely, if the "-sf kk/host" is used in the command line and then the
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"/kk" or "/kk/device" suffix is added to a specific style in your input script,
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then only that specific style will run on the GPU while everything else will
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run on the CPU in OpenMP mode. Note that the execution of the CPU and GPU
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styles will NOT overlap, except for a special case:
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A kspace style and/or molecular topology (bonds, angles, etc.) running on
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the host CPU can overlap with a pair style running on the GPU. First compile
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with “--default-stream per-thread” added to CCFLAGS in the Kokkos CUDA Makefile.
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Then explicitly use the “/kk/host” suffix for kspace and bonds, angles, etc.
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with "--default-stream per-thread" added to CCFLAGS in the Kokkos CUDA Makefile.
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Then explicitly use the "/kk/host" suffix for kspace and bonds, angles, etc.
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in the input file and the "kk" suffix (equal to "kk/device") on the command line.
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Also make sure the environment variable CUDA_LAUNCH_BLOCKING is not set to "1"
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so CPU/GPU overlap can occur.
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