标题: 用ORCA做MP2计算时，居然说我memory是负的 [打印本页] 作者Author: Charles_Gao 时间: 2018-1-11 23:49 标题: 用ORCA做MP2计算时，居然说我memory是负的 Error (ORCA_MP2): not enough memory to treat a single pass
Memory available (-694.8 MB) < Memory needed (950.8 MB)
The variable [MP2] MaxCore must be set to at least 1646 MB
[file orca_mp2/mp2ao.cpp, line 1154, Process 0]: ... Aborting the run