Single core performance, ReaxFF HNS benchmark, KNL
Performance in millions of atom-timesteps / second
Natoms | CPU/KNL (mpi) | OMP/KNL (mpi) | Kokkos/KNL (mpi) | Kokkos/serial/KNL (mpi) | |
912 | 0.002342 (1) | 0.002283 (1) | 0.002371 (1) | 0.002576 (1) | |
1824 | 0.00275 (1) | 0.002748 (1) | 0.002751 (1) | 0.003021 (1) | |
3648 | 0.00302 (1) | 0.003078 (1) | 0.003009 (1) | 0.003328 (1) | |
7296 | 0.003272 (1) | 0.003386 (1) | 0.003224 (1) | 0.003599 (1) | |
14592 | 0.003416 (1) | 0.003573 (1) | 0.003352 (1) | 0.003754 (1) | |
29184 | 0.003562 (1) | 0.003761 (1) | 0.003469 (1) | 0.003912 (1) | |
58368 | 0.003678 (1) | 0.003924 (1) | 0.003567 (1) | 0.004047 (1) | |
116736 | 0.003736 (1) | 0.004012 (1) | 0.003627 (1) | 0.004112 (1) |
912 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -v x 1 -v y 1 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu_knl.kind=core.size=1K.node=1.mpi=1.hyper=1 |
1824 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -v x 1 -v y 2 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu_knl.kind=core.size=2K.node=1.mpi=1.hyper=1 |
3648 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -v x 2 -v y 2 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu_knl.kind=core.size=4K.node=1.mpi=1.hyper=1 |
7296 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -v x 2 -v y 4 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu_knl.kind=core.size=8K.node=1.mpi=1.hyper=1 |
14592 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -v x 4 -v y 4 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu_knl.kind=core.size=16K.node=1.mpi=1.hyper=1 |
29184 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -v x 4 -v y 4 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu_knl.kind=core.size=32K.node=1.mpi=1.hyper=1 |
58368 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -v x 4 -v y 8 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu_knl.kind=core.size=64K.node=1.mpi=1.hyper=1 |
116736 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -v x 8 -v y 8 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu_knl.kind=core.size=128K.node=1.mpi=1.hyper=1 |
912 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -sf omp -pk omp 1 -v x 1 -v y 1 -v z 3 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp_knl.kind=core.size=1K.node=1.mpi=1.thread=1.hyper=1 |
1824 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -sf omp -pk omp 1 -v x 1 -v y 2 -v z 3 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp_knl.kind=core.size=2K.node=1.mpi=1.thread=1.hyper=1 |
3648 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -sf omp -pk omp 1 -v x 2 -v y 2 -v z 3 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp_knl.kind=core.size=4K.node=1.mpi=1.thread=1.hyper=1 |
7296 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -sf omp -pk omp 1 -v x 2 -v y 4 -v z 3 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp_knl.kind=core.size=8K.node=1.mpi=1.thread=1.hyper=1 |
14592 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -sf omp -pk omp 1 -v x 4 -v y 4 -v z 3 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp_knl.kind=core.size=16K.node=1.mpi=1.thread=1.hyper=1 |
29184 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -sf omp -pk omp 1 -v x 4 -v y 4 -v z 6 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp_knl.kind=core.size=32K.node=1.mpi=1.thread=1.hyper=1 |
58368 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -sf omp -pk omp 1 -v x 4 -v y 8 -v z 6 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp_knl.kind=core.size=64K.node=1.mpi=1.thread=1.hyper=1 |
116736 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_knl -sf omp -pk omp 1 -v x 8 -v y 8 -v z 6 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp_knl.kind=core.size=128K.node=1.mpi=1.thread=1.hyper=1 |
912 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_knl -sf kk -k on t 1 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 1 -v y 1 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_knl.kind=core.size=1K.node=1.mpi=1.thread=1.hyper=1 |
1824 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_knl -sf kk -k on t 1 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 1 -v y 2 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_knl.kind=core.size=2K.node=1.mpi=1.thread=1.hyper=1 |
3648 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_knl -sf kk -k on t 1 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 2 -v y 2 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_knl.kind=core.size=4K.node=1.mpi=1.thread=1.hyper=1 |
7296 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_knl -sf kk -k on t 1 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 2 -v y 4 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_knl.kind=core.size=8K.node=1.mpi=1.thread=1.hyper=1 |
14592 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_knl -sf kk -k on t 1 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 4 -v y 4 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_knl.kind=core.size=16K.node=1.mpi=1.thread=1.hyper=1 |
29184 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_knl -sf kk -k on t 1 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 4 -v y 4 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_knl.kind=core.size=32K.node=1.mpi=1.thread=1.hyper=1 |
58368 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_knl -sf kk -k on t 1 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 4 -v y 8 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_knl.kind=core.size=64K.node=1.mpi=1.thread=1.hyper=1 |
116736 | setenv OMP_NUM_THREADS 1; srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_knl -sf kk -k on t 1 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 8 -v y 8 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_knl.kind=core.size=128K.node=1.mpi=1.thread=1.hyper=1 |
912 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_serial_knl -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 1 -v y 1 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial_knl.kind=core.size=1K.node=1.mpi=1.hyper=1 |
1824 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_serial_knl -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 1 -v y 2 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial_knl.kind=core.size=2K.node=1.mpi=1.hyper=1 |
3648 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_serial_knl -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 2 -v y 2 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial_knl.kind=core.size=4K.node=1.mpi=1.hyper=1 |
7296 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_serial_knl -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 2 -v y 4 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial_knl.kind=core.size=8K.node=1.mpi=1.hyper=1 |
14592 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_serial_knl -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 4 -v y 4 -v z 3 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial_knl.kind=core.size=16K.node=1.mpi=1.hyper=1 |
29184 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_serial_knl -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 4 -v y 4 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial_knl.kind=core.size=32K.node=1.mpi=1.hyper=1 |
58368 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_serial_knl -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 4 -v y 8 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial_knl.kind=core.size=64K.node=1.mpi=1.hyper=1 |
116736 | srun -n 1 -C knl --ntasks-per-node 1 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_serial_knl -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 8 -v y 8 -v z 6 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial_knl.kind=core.size=128K.node=1.mpi=1.hyper=1 |