28 lines
992 B
Plaintext
28 lines
992 B
Plaintext
These example scripts can be run with the USER-CUDA package, assuming
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you built LAMMPS with the package and the precision you want.
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Note that these benchmark problems are identical to those in the
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examples/cuda directory which use the USER-CUDA package.
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You can run any of the scripts as follows. You can also reset the
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x,y,z variables in the command line to change the size of the problem.
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With the USER-CUDA package on 1 GPU:
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lmp_machine -c on -sf cuda < in.cuda.melt.2.5
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lmp_machine -c on -sf cuda -v x 6 -v y 6 -v z 6 < in.cuda.phosphate
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With the USER-CUDA package on 2 GPUs:
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mpirun -np 2 lmp_machine -c on -sf cuda -pk cuda 2 < in.cuda.melt.2.5
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mpirun -np 2 lmp_machine -c on -sf cuda -pk cuda 2 < in.cuda.rhodo
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CPU-only:
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lmp_machine in.cuda.melt.2.5
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mpirun -np 4 lmp_machine < in.cuda.melt.5.0
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mpirun -np 8 lmp_machine -v x 1 -v y 1 -v z 2 < in.cuda.rhodo
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Note that with the USER-CUDA package you must insure the number of MPI
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tasks equals the number of GPUs (both per node).
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