Timings for the average geometry optimization step for Chorismate Mutase using using different methods.

EFMO-RHF/6-31G(d) timings are obtained from Steinmann et al. [21] The timing marked (1 group) denotes that in this calculation, the MP2 part was distributed across all nodes (see text). All calculations are carried out on 80 Intel Xeon X5550 CPU cores distributed across 10 nodes.EFMO-RHF/6-31G(d)方法的计时数据取自Steinmann等人的研究[21]。标注有(1 group)的计时数据表示，本次计算中将二阶莫勒-普莱塞特微扰理论（MP2）部分的计算任务分发至所有计算节点（详见正文）。所有计算均在分布于10个节点的80颗Intel Xeon X5550 CPU核心上完成。