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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12486 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-09-11 16:03:27 +00:00
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@ -25,7 +25,7 @@ To run on just CPUs (without using the GPU or USER-CUDA styles),
do something like the following: do something like the following:
mpirun -np 1 lmp_linux_double -v x 8 -v y 8 -v z 8 -v t 100 < in.lj mpirun -np 1 lmp_linux_double -v x 8 -v y 8 -v z 8 -v t 100 < in.lj
mpirun -np 12 lmp_linux_double -v x 16 -v y 16 -v z 16 -v t 100 < in.lj mpirun -np 12 lmp_linux_double -v x 16 -v y 16 -v z 16 -v t 100 < in.eam
The "xyz" settings determine the problem size. The "t" setting The "xyz" settings determine the problem size. The "t" setting
determines the number of timesteps. determines the number of timesteps.
@ -37,40 +37,37 @@ nodes, scale up the "-np" setting.
To run with the GPU package, do something like the following: To run with the GPU package, do something like the following:
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 mpirun -np 12 lmp_linux_single -sf gpu -v x 32 -v y 32 -v z 64 -v t 100 < in.lj
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 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
The "xyz" settings determine the problem size. The "t" setting The "xyz" settings determine the problem size. The "t" setting
determines the number of timesteps. The "np" setting determines how determines the number of timesteps. The "np" setting determines how
many MPI tasks (per node) the problem will run on, The numeric many MPI tasks (per node) the problem will run on. The numeric
argument to the "-pk" setting is the number of GPUs (per node). Note argument to the "-pk" setting is the number of GPUs (per node); 1 GPU
that you can use more MPI tasks than GPUs (per node) with the GPU is the default. Note that you can use more MPI tasks than GPUs (per
package. node) with the GPU package.
These mpirun commands run on a single node. To run on multiple These mpirun commands run on a single node. To run on multiple nodes,
nodes, scale up the "-np" setting, and control the number of scale up the "-np" setting, and control the number of MPI tasks per
MPI tasks per node via a "-ppn" setting. node via a "-ppn" setting.
------------------------------------------------------------------------ ------------------------------------------------------------------------
To run with the USER-CUDA package, do something like the following: To run with the USER-CUDA package, do something like the following:
If the script has "cuda" in its name, it is meant to be run using mpirun -np 1 lmp_linux_single -c on -sf cuda -v x 16 -v y 16 -v z 16 -v t 100 < in.lj
the USER-CUDA package. For example: 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
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
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
The "xyz" settings determine the problem size. The "t" setting The "xyz" settings determine the problem size. The "t" setting
determines the number of timesteps. The "np" setting determines how determines the number of timesteps. The "np" setting determines how
many MPI tasks per compute node the problem will run on, and the "g" many MPI tasks (per node) the problem will run on. The numeric
setting determines how many GPUs per compute node the problem will run argument to the "-pk" setting is the number of GPUs (per node); 1 GPU
on, i.e. 1 or 2 in this case. For the USER-CUDA package, the number is the default. Note that the number of MPI tasks must equal the
of MPI tasks and GPUs (both per compute node) must be equal. number of GPUs (both per node) with the USER-CUDA package.
These mpirun commands run on a single node. To run on multiple These mpirun commands run on a single node. To run on multiple nodes,
nodes, scale up the "-np" setting. scale up the "-np" setting, and control the number of MPI tasks per
node via a "-ppn" setting.
------------------------------------------------------------------------ ------------------------------------------------------------------------