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Memory usage (GiB) for the neighbor search and number of pairwise interactions evaluated in real space nonbonded interactions (32 MPI with 8 OpenMP case)
| Memory usage | Number of interactions | |
|---|---|---|
| Algorithm 1 (AoS) | 305.88 MiB | 47364470 |
| Algorithm 1 (SoA) | 305.88 MiB | 47364470 |
| Algorithm 1 (AoS) | 48.40 MiB | 122404436 |
| Algorithm 1 (SoA) | 48.40 MiB | 122404436 |
