Single node performance, ReaxFF HNS benchmark, Haswell
Performance in millions of atom-timesteps / second
Natoms | CPU (mpi,hyper) | OMP (mpi,hyper,thread) | Kokkos/OMP (mpi,hyper,thread) | Kokkos/serial (mpi,hyper) | |
3648 | 0.08565 (32,1) | 0.1299 (16,2,4) | 0.1017 (16,2,4) | 0.1011 (32,1) | |
7296 | 0.1174 (32,1) | 0.1643 (16,2,4) | 0.1283 (16,2,4) | 0.1404 (32,1) | |
14592 | 0.1466 (32,1) | 0.2093 (16,2,4) | 0.1646 (32,2,2) | 0.1873 (32,1) | |
29184 | 0.1844 (64,2) | 0.2276 (16,2,4) | 0.1923 (32,2,2) | 0.2316 (32,1) | |
58368 | 0.2254 (64,2) | 0.2523 (16,2,4) | 0.2151 (32,2,2) | 0.268 (64,2) | |
116736 | 0.2547 (64,2) | 0.2821 (16,2,4) | 0.2399 (32,2,2) | 0.3054 (64,2) | |
233472 | 0.2851 (64,2) | 0.302 (16,2,4) | 0.2643 (32,2,2) | 0.3382 (64,2) | |
466944 | 0.3173 (64,2) | 0.3209 (16,2,4) | 0.278 (32,2,2) | 0.3733 (64,2) | |
933888 | 0.3396 (64,2) | 0.3396 (16,2,4) | 0.291 (32,2,2) | 0.3907 (64,2) |
3648 | srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=rank -c 2 ./lmp_mutrino_cpu -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.kind=node.size=4K.node=1.mpi=32.hyper=1 |
7296 | srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=rank -c 2 ./lmp_mutrino_cpu -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.kind=node.size=8K.node=1.mpi=32.hyper=1 |
14592 | srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=rank -c 2 ./lmp_mutrino_cpu -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.kind=node.size=16K.node=1.mpi=32.hyper=1 |
29184 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_cpu -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.kind=node.size=32K.node=1.mpi=64.hyper=2 |
58368 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_cpu -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.kind=node.size=64K.node=1.mpi=64.hyper=2 |
116736 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_cpu -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.kind=node.size=128K.node=1.mpi=64.hyper=2 |
233472 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_cpu -v x 8 -v y 8 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu.kind=node.size=256K.node=1.mpi=64.hyper=2 |
466944 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_cpu -v x 8 -v y 16 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu.kind=node.size=512K.node=1.mpi=64.hyper=2 |
933888 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_cpu -v x 16 -v y 16 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=cpu.kind=node.size=1M.node=1.mpi=64.hyper=2 |
3648 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -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.kind=node.size=4K.node=1.mpi=16.thread=4.hyper=2 |
7296 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -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.kind=node.size=8K.node=1.mpi=16.thread=4.hyper=2 |
14592 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -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.kind=node.size=16K.node=1.mpi=16.thread=4.hyper=2 |
29184 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -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.kind=node.size=32K.node=1.mpi=16.thread=4.hyper=2 |
58368 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -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.kind=node.size=64K.node=1.mpi=16.thread=4.hyper=2 |
116736 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -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.kind=node.size=128K.node=1.mpi=16.thread=4.hyper=2 |
233472 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -v x 8 -v y 8 -v z 12 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp.kind=node.size=256K.node=1.mpi=16.thread=4.hyper=2 |
466944 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -v x 8 -v y 16 -v z 12 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp.kind=node.size=512K.node=1.mpi=16.thread=4.hyper=2 |
933888 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_cpu -sf omp -pk omp 4 -v x 16 -v y 16 -v z 12 -v t 100 -in in.reaxc.hns.omp.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=omp.kind=node.size=1M.node=1.mpi=16.thread=4.hyper=2 |
3648 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_omp -sf kk -k on t 4 -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_omp.kind=node.size=4K.node=1.mpi=16.thread=4.hyper=2 |
7296 | setenv OMP_NUM_THREADS 4; srun -n 16 -C haswell --ntasks-per-node 16 --cpu_bind=cores -c 4 ./lmp_mutrino_kokkos_omp -sf kk -k on t 4 -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_omp.kind=node.size=8K.node=1.mpi=16.thread=4.hyper=2 |
14592 | setenv OMP_NUM_THREADS 2; srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -sf kk -k on t 2 -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_omp.kind=node.size=16K.node=1.mpi=32.thread=2.hyper=2 |
29184 | setenv OMP_NUM_THREADS 2; srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -sf kk -k on t 2 -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_omp.kind=node.size=32K.node=1.mpi=32.thread=2.hyper=2 |
58368 | setenv OMP_NUM_THREADS 2; srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -sf kk -k on t 2 -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_omp.kind=node.size=64K.node=1.mpi=32.thread=2.hyper=2 |
116736 | setenv OMP_NUM_THREADS 2; srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -sf kk -k on t 2 -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_omp.kind=node.size=128K.node=1.mpi=32.thread=2.hyper=2 |
233472 | setenv OMP_NUM_THREADS 2; srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -sf kk -k on t 2 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 8 -v y 8 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_omp.kind=node.size=256K.node=1.mpi=32.thread=2.hyper=2 |
466944 | setenv OMP_NUM_THREADS 2; srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -sf kk -k on t 2 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 8 -v y 16 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_omp.kind=node.size=512K.node=1.mpi=32.thread=2.hyper=2 |
933888 | setenv OMP_NUM_THREADS 2; srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -sf kk -k on t 2 -pk kokkos neigh half neigh/qeq full newton on comm no -v x 16 -v y 16 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_omp.kind=node.size=1M.node=1.mpi=32.thread=2.hyper=2 |
3648 | srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=rank -c 2 ./lmp_mutrino_kokkos_serial -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.kind=node.size=4K.node=1.mpi=32.hyper=1 |
7296 | srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=rank -c 2 ./lmp_mutrino_kokkos_serial -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.kind=node.size=8K.node=1.mpi=32.hyper=1 |
14592 | srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=rank -c 2 ./lmp_mutrino_kokkos_serial -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.kind=node.size=16K.node=1.mpi=32.hyper=1 |
29184 | srun -n 32 -C haswell --ntasks-per-node 32 --cpu_bind=rank -c 2 ./lmp_mutrino_kokkos_serial -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.kind=node.size=32K.node=1.mpi=32.hyper=1 |
58368 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_kokkos_serial -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.kind=node.size=64K.node=1.mpi=64.hyper=2 |
116736 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_kokkos_serial -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.kind=node.size=128K.node=1.mpi=64.hyper=2 |
233472 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_kokkos_serial -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 8 -v y 8 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial.kind=node.size=256K.node=1.mpi=64.hyper=2 |
466944 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_kokkos_serial -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 8 -v y 16 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial.kind=node.size=512K.node=1.mpi=64.hyper=2 |
933888 | srun -n 64 -C haswell --ntasks-per-node 64 --cpu_bind=rank -c 1 ./lmp_mutrino_kokkos_serial -sf kk -k on -pk kokkos neigh half neigh/qeq half newton on comm no -v x 16 -v y 16 -v z 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_serial.kind=node.size=1M.node=1.mpi=64.hyper=2 |