README
35642380446defficient_neuronet

README
View Options

			These example scripts can be run with the USER-CUDA package, assuming
			you built LAMMPS with the package and the precision you want.

			Note that these benchmark problems are identical to those in the
			examples/cuda directory which use the USER-CUDA package.

			You can run any of the scripts as follows. You can also reset the
			x,y,z variables in the command line to change the size of the problem.

			With the USER-CUDA package on 1 GPU:

			lmp_machine -c on -sf cuda < in.cuda.melt.2.5
			lmp_machine -c on -sf cuda -v x 6 -v y 6 -v z 6 < in.cuda.phosphate

			With the USER-CUDA package on 2 GPUs:

			mpirun -np 2 lmp_machine -c on -sf cuda -pk cuda 2 < in.cuda.melt.2.5
			mpirun -np 2 lmp_machine -c on -sf cuda -pk cuda 2 < in.cuda.rhodo

			CPU-only:

			lmp_machine in.cuda.melt.2.5
			mpirun -np 4 lmp_machine < in.cuda.melt.5.0
			mpirun -np 8 lmp_machine -v x 1 -v y 1 -v z 2 < in.cuda.rhodo

			Note that with the USER-CUDA package you must insure the number of MPI
			tasks equals the number of GPUs (both per node).