摘要
设计了基于空穴-粒子对称的并行化组态相互作用程序,并在一个有12个结点的计算机集群上测试了程序的运行.测试表明,程序的并行化基本上达到了预期的结果,8个结点的加速比达到6.33,在12个结点上成功地完成了5.8亿自旋匹配组态的超大规模MRCI计算.
The MRCI program based on hole-particle symmetry has been parallelized and tested on a IA cluster consisting of 12 nodes. It shows that the parallel implementation of the program is successive, a speedup 6.33 performed on 8 nodes was obtained, and a very large MRCI calculation with 5.8 x 10(8) CSF has been carried out on 12 nodes.
出处
《化学学报》
SCIE
CAS
CSCD
北大核心
2004年第21期2131-2135,共5页
Acta Chimica Sinica
基金
国家自然科学基金(No.20073032)
北京大学稀土材料化学及应用国家重点实验室资助项目.
