Single core performance, ReaxFF HNS benchmark, Haswell
Performance in millions of atom-timesteps / second
Natoms | CPU (mpi) | OMP (mpi) | Kokkos/OMP (mpi) | Kokkos/serial (mpi) | |
912 | 0.00931 (1) | 0.009444 (1) | 0.009509 (1) | 0.01078 (1) | |
1824 | 0.01066 (1) | 0.01092 (1) | 0.01082 (1) | 0.01216 (1) | |
3648 | 0.01162 (1) | 0.012 (1) | 0.01181 (1) | 0.01322 (1) | |
7296 | 0.01247 (1) | 0.01319 (1) | 0.01274 (1) | 0.01441 (1) | |
14592 | 0.01295 (1) | 0.01353 (1) | 0.01272 (1) | 0.01508 (1) | |
29184 | 0.01352 (1) | 0.01408 (1) | 0.01319 (1) | 0.01568 (1) | |
58368 | 0.01399 (1) | 0.01462 (1) | 0.01358 (1) | 0.01627 (1) | |
116736 | 0.01431 (1) | 0.0151 (1) | 0.01378 (1) | 0.01657 (1) | |
233472 | 0.01462 (1) | 0.01549 (1) | 0.01403 (1) | 0.01688 (1) | |
466944 | 0.01486 (1) | 0.01584 (1) | 0.01426 (1) | 0.0172 (1) |
912 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=1K.node=1.mpi=1.hyper=1 |
1824 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=2K.node=1.mpi=1.hyper=1 |
3648 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -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=core.size=4K.node=1.mpi=1.hyper=1 |
7296 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -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=core.size=8K.node=1.mpi=1.hyper=1 |
14592 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -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=core.size=16K.node=1.mpi=1.hyper=1 |
29184 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./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=core.size=32K.node=1.mpi=1.hyper=1 |
58368 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./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=core.size=64K.node=1.mpi=1.hyper=1 |
116736 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./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=core.size=128K.node=1.mpi=1.hyper=1 |
233472 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./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=core.size=256K.node=1.mpi=1.hyper=1 |
466944 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./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=core.size=512K.node=1.mpi=1.hyper=1 |
912 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=1K.node=1.mpi=1.thread=1.hyper=1 |
1824 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=2K.node=1.mpi=1.thread=1.hyper=1 |
3648 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=4K.node=1.mpi=1.thread=1.hyper=1 |
7296 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=8K.node=1.mpi=1.thread=1.hyper=1 |
14592 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=16K.node=1.mpi=1.thread=1.hyper=1 |
29184 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=32K.node=1.mpi=1.thread=1.hyper=1 |
58368 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=64K.node=1.mpi=1.thread=1.hyper=1 |
116736 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -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.kind=core.size=128K.node=1.mpi=1.thread=1.hyper=1 |
233472 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -sf omp -pk omp 1 -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=core.size=256K.node=1.mpi=1.thread=1.hyper=1 |
466944 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_cpu -sf omp -pk omp 1 -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=core.size=512K.node=1.mpi=1.thread=1.hyper=1 |
912 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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_omp.kind=core.size=1K.node=1.mpi=1.thread=1.hyper=1 |
1824 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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_omp.kind=core.size=2K.node=1.mpi=1.thread=1.hyper=1 |
3648 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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_omp.kind=core.size=4K.node=1.mpi=1.thread=1.hyper=1 |
7296 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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_omp.kind=core.size=8K.node=1.mpi=1.thread=1.hyper=1 |
14592 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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_omp.kind=core.size=16K.node=1.mpi=1.thread=1.hyper=1 |
29184 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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_omp.kind=core.size=32K.node=1.mpi=1.thread=1.hyper=1 |
58368 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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_omp.kind=core.size=64K.node=1.mpi=1.thread=1.hyper=1 |
116736 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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_omp.kind=core.size=128K.node=1.mpi=1.thread=1.hyper=1 |
233472 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -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 12 -v t 100 -in in.reaxc.hns.steps -nocite -log log.lammps.date=17Jan18.model=hns.machine=mutrino.pkg=kokkos_omp.kind=core.size=256K.node=1.mpi=1.thread=1.hyper=1 |
466944 | setenv OMP_NUM_THREADS 1; srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_omp -sf kk -k on t 1 -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=core.size=512K.node=1.mpi=1.thread=1.hyper=1 |
912 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_serial -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.kind=core.size=1K.node=1.mpi=1.hyper=1 |
1824 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./lmp_mutrino_kokkos_serial -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.kind=core.size=2K.node=1.mpi=1.hyper=1 |
3648 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -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=core.size=4K.node=1.mpi=1.hyper=1 |
7296 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -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=core.size=8K.node=1.mpi=1.hyper=1 |
14592 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -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=core.size=16K.node=1.mpi=1.hyper=1 |
29184 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -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=core.size=32K.node=1.mpi=1.hyper=1 |
58368 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -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 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=core.size=64K.node=1.mpi=1.hyper=1 |
116736 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./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=core.size=128K.node=1.mpi=1.hyper=1 |
233472 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./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=core.size=256K.node=1.mpi=1.hyper=1 |
466944 | srun -n 1 -C haswell --ntasks-per-node 1 --cpu_bind=cores -c 2 ./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=core.size=512K.node=1.mpi=1.hyper=1 |