forked from lijiext/lammps
18 lines
1.2 KiB
Bash
18 lines
1.2 KiB
Bash
#!/bin/bash
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#SBATCH -N 1 --time=12:00:00
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mpirun -np full -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 16 -sf kk -pk kokkos neigh full newton off comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj
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mv log.lammps log.10Sep14.lj.kokkos.omp.128K.1.16
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mpirun -np full -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 8 -sf kk -pk kokkos neigh full newton off comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj
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mv log.lammps log.10Sep14.lj.kokkos.omp.128K.2.8
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mpirun -np full -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 4 -sf kk -pk kokkos neigh full newton off comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj
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mv log.lammps log.10Sep14.lj.kokkos.omp.128K.4.4
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mpirun -np full -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 2 -sf kk -pk kokkos neigh full newton off comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj
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mv log.lammps log.10Sep14.lj.kokkos.omp.128K.8.2
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mpirun -np half -bind-to socket -map-by socket -x KMP_AFFINITY=scatter lmp_kokkos_omp -k on t 1 -sf kk -pk kokkos neigh half newton on comm device -v x 32 -v y 32 -v z 32 -v t 100 < in.lj
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mv log.lammps log.10Sep14.lj.kokkos.omp.128K.16.1
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