\begin{table}[ht] \begin{tabular}{|r|r|r|r|r|r|r|r|r|c|} \hline Nodes & E$_{\rm ext}^1$ & E$_{\rm int}^2$ & Wait$^3$ & Comm$^4$ & List$^5$ & Integ$^6$ & \multicolumn{1}{c|}{Total} & Eff.$^7$ & Speedup \\ \hline 1$^*$& 70239.8 & 445.7 & 0.0 & 0.0 & 3821.7 & 90.5 &74595.5 = 20.72 h & 100.0\% & 1 \\ \hline 2 &35119.9 & 238.9 & 230.7 & 133.3 & 1978.2 & 53.8 &37754.8 = 10.49 h & 98.8\% & 1.98\\ \hline 4 &17559.9 & 137.2 & 141.0 & 203.9 & 1038.3 & 29.9 & 19110.2 = 5.31 h & 97.6\% & 3.9 \\ \hline 8 & 8582.0 & 78.2 & 107.8 & 239.9 & 550.7 & 17.4 & 9576.0 = 2.66 h & 97.4\% & 7.8 \\ \hline 16 & 4277.6 & 64.1 & 54.6 & 260.1 & 280.7 & 10.5 & 4947.6 = 1.37 h & 94.2\% & 15 \\ \hline 32 & 2144.9 & 29.4 & 46.0 & 272.6 & 146.7 & 7.1 & 2646.7 = 0.74 h & 88.1\% & 28 \\ \hline 64 & 1098.7 & 20.9 & 28.9 & 291.6 & 82.5 & 7.5 & 1530.1 = 0.43 h & 76.2\% & 49 \\ \hline 128 & 555.6 & 16.6 & 24.9 & 287.7 & 48.1 & 5.5 & 938.4 = 0.26 h & 62.1\% & 80 \\ \hline \end{tabular} \end{table}
E ext : External energy terms (electrostatics + Lenard-Jones) E int : Internal energy terms (bond, angle, dihedral) Wait : Load unbalance Comm : Communication time (Vector Distr. Global {Sum,Brdcst}) List : Nonbond list generation time Integ : Time needed to integrate equations of motion Total : Total elapsed time Eff : Efficiency = speedup divided by number of nodes Speedup: Time for N nodes divided by time for one node.