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Cu4 bulk
Eric Bylaska edited this page Mar 4, 2025
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elements involved in the cluster: 1: Cu core charge:11.0 lmax=2 comment : Troullier-Martins pseudopotential pseudpotential type : 0 highest angular component : 2 local potential used : 0 number of non-local projections: 8 semicore corrections included : 0.480 (radius) 9.109 (charge) cutoff = 2.055 2.299 2.055
| machine | ngpus | cputime | non-local | ffm | fmf | fft | diagonalize |
|---|---|---|---|---|---|---|---|
| h100 | 8 | 5.741e+00 | 6.280e-01 | 5.799e-02 | 5.322e-02 | 4.843e+00 | |
| h100 | 8ns | 9.297e+00 | 6.639e-01 | 5.412e-02 | 6.039e-02 | 8.371e+00 | |
| h100 | 16 | 4.728e+00 | 3.345e-01 | 3.540e-02 | 2.810e-02 | 4.247e+00 | |
| h100 | 16ns | 8.007e+00 | 3.308e-01 | 3.972e-02 | 2.685e-02 | 7.965e+00 | |
| h100 | 24 | 4.465e+00 | 2.349e-01 | 3.258e-02 | 1.446e-02 | 4.136e+00 |