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Commit 3b1b9a2c authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
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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. ...@@ -326,9 +326,9 @@ include both "Cuda" and "OpenMP", as is the case for /src/MAKE/OPTIONS/Makefile.
KOKKOS_DEVICES=Cuda,OpenMP :pre KOKKOS_DEVICES=Cuda,OpenMP :pre
The suffix “/kk” is equivalent to “/kk/device”, and for Kokkos CUDA, The suffix "/kk" is equivalent to "/kk/device", and for Kokkos CUDA,
using the “-sf kk” in the command line gives the default CUDA version everywhere. using the "-sf kk" in the command line gives the default CUDA version everywhere.
However, if the “/kk/host” suffix is added to a specific style in the input However, if the "/kk/host" suffix is added to a specific style in the input
script, the Kokkos OpenMP (CPU) version of that specific style will be used instead. script, the Kokkos OpenMP (CPU) version of that specific style will be used instead.
Set the number of OpenMP threads as "t Nt" and the number of GPUs as "g Ng" Set the number of OpenMP threads as "t Nt" and the number of GPUs as "g Ng"
...@@ -338,16 +338,16 @@ For example, the command to run with 1 GPU and 8 OpenMP threads is then: ...@@ -338,16 +338,16 @@ For example, the command to run with 1 GPU and 8 OpenMP threads is then:
mpiexec -np 1 lmp_kokkos_cuda_openmpi -in in.lj -k on g 1 t 8 -sf kk :pre mpiexec -np 1 lmp_kokkos_cuda_openmpi -in in.lj -k on g 1 t 8 -sf kk :pre
Conversely, if the “-sf kk/host” is used in the command line and then the Conversely, if the "-sf kk/host" is used in the command line and then the
“/kk” or “/kk/device” suffix is added to a specific style in your input script, "/kk" or "/kk/device" suffix is added to a specific style in your input script,
then only that specific style will run on the GPU while everything else will then only that specific style will run on the GPU while everything else will
run on the CPU in OpenMP mode. Note that the execution of the CPU and GPU run on the CPU in OpenMP mode. Note that the execution of the CPU and GPU
styles will NOT overlap, except for a special case: styles will NOT overlap, except for a special case:
A kspace style and/or molecular topology (bonds, angles, etc.) running on A kspace style and/or molecular topology (bonds, angles, etc.) running on
the host CPU can overlap with a pair style running on the GPU. First compile the host CPU can overlap with a pair style running on the GPU. First compile
with “--default-stream per-thread” added to CCFLAGS in the Kokkos CUDA Makefile. with "--default-stream per-thread" added to CCFLAGS in the Kokkos CUDA Makefile.
Then explicitly use the “/kk/host” suffix for kspace and bonds, angles, etc. Then explicitly use the "/kk/host" suffix for kspace and bonds, angles, etc.
in the input file and the "kk" suffix (equal to "kk/device") on the command line. in the input file and the "kk" suffix (equal to "kk/device") on the command line.
Also make sure the environment variable CUDA_LAUNCH_BLOCKING is not set to "1" Also make sure the environment variable CUDA_LAUNCH_BLOCKING is not set to "1"
so CPU/GPU overlap can occur. so CPU/GPU overlap can occur.
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