git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12486 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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@ -25,7 +25,7 @@ To run on just CPUs (without using the GPU or USER-CUDA styles),
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do something like the following:
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mpirun -np 1 lmp_linux_double -v x 8 -v y 8 -v z 8 -v t 100 < in.lj
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mpirun -np 12 lmp_linux_double -v x 16 -v y 16 -v z 16 -v t 100 < in.lj
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mpirun -np 12 lmp_linux_double -v x 16 -v y 16 -v z 16 -v t 100 < in.eam
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The "xyz" settings determine the problem size. The "t" setting
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determines the number of timesteps.
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@ -37,40 +37,37 @@ nodes, scale up the "-np" setting.
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To run with the GPU package, do something like the following:
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mpirun -np 12 lmp_linux_single -sf gpu -pk gpu 1 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj
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mpirun -np 8 lmp_linux_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.lj
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mpirun -np 12 lmp_linux_single -sf gpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj
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mpirun -np 8 lmp_linux_mixed -sf gpu -pk gpu 2 -v x 32 -v y 32 -v z 64 -v t 100 < in.eam
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The "xyz" settings determine the problem size. The "t" setting
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determines the number of timesteps. The "np" setting determines how
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many MPI tasks (per node) the problem will run on, The numeric
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argument to the "-pk" setting is the number of GPUs (per node). Note
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that you can use more MPI tasks than GPUs (per node) with the GPU
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package.
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many MPI tasks (per node) the problem will run on. The numeric
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argument to the "-pk" setting is the number of GPUs (per node); 1 GPU
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is the default. Note that you can use more MPI tasks than GPUs (per
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node) with the GPU package.
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These mpirun commands run on a single node. To run on multiple
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nodes, scale up the "-np" setting, and control the number of
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MPI tasks per node via a "-ppn" setting.
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These mpirun commands run on a single node. To run on multiple nodes,
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scale up the "-np" setting, and control the number of MPI tasks per
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node via a "-ppn" setting.
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------------------------------------------------------------------------
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To run with the USER-CUDA package, do something like the following:
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If the script has "cuda" in its name, it is meant to be run using
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the USER-CUDA package. For example:
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mpirun -np 1 ../lmp_linux_single -c on -sf cuda -v g 1 -v x 16 -v y 16 -v z 16 -v t 100 < in.lj.cuda
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mpirun -np 2 ../lmp_linux_double -c on -sf cuda -v g 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.eam.cuda
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mpirun -np 1 lmp_linux_single -c on -sf cuda -v x 16 -v y 16 -v z 16 -v t 100 < in.lj
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mpirun -np 2 lmp_linux_double -c on -sf cuda -pk cuda 2 -v x 32 -v y 64 -v z 64 -v t 100 < in.eam
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The "xyz" settings determine the problem size. The "t" setting
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determines the number of timesteps. The "np" setting determines how
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many MPI tasks per compute node the problem will run on, and the "g"
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setting determines how many GPUs per compute node the problem will run
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on, i.e. 1 or 2 in this case. For the USER-CUDA package, the number
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of MPI tasks and GPUs (both per compute node) must be equal.
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many MPI tasks (per node) the problem will run on. The numeric
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argument to the "-pk" setting is the number of GPUs (per node); 1 GPU
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is the default. Note that the number of MPI tasks must equal the
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number of GPUs (both per node) with the USER-CUDA package.
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These mpirun commands run on a single node. To run on multiple
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nodes, scale up the "-np" setting.
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These mpirun commands run on a single node. To run on multiple nodes,
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scale up the "-np" setting, and control the number of MPI tasks per
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node via a "-ppn" setting.
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------------------------------------------------------------------------
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