| 查看: 1041 | 回复: 0 | ||
| 【悬赏金币】回答本帖问题，作者我要早毕业将赠送您 5 个金币 | ||
[求助]
dmo3过渡态搜索报错求指教
|
||
|
dmol3 反应路径过渡态搜索总报错是什么原因？求指教 Message: DMol3 job failed Error: DMol3 exiting Message: License checkin of MS_dmol successful Error: Transition state search failed QST cycle limit reached ... Calling mpi_abort ... Errors from parallel task 2: Error: Transition state search failed QST cycle limit reached ... Calling mpi_abort ... Errors from parallel task 3: Error: Transition state search failed QST cycle limit reached ... Calling mpi_abort ... Errors from parallel task 4: Error: Transition state search failed QST cycle limit reached ... Calling mpi_abort ... Errors from parallel task 5: Error: Transition state search failed QST cycle limit reached ... Calling mpi_abort ... Errors from parallel task 6: Error: Transition state search failed QST cycle limit reached ... Calling mpi_abort ... Errors from parallel task 7: Error: Transition state search failed QST cycle limit reached ... Calling mpi_abort ... |
回复此楼» 猜你喜欢
2026国自然函评费到账
已经有10人回复
-
filecode，4个jtjc了
已经有16人回复
-
售一区SCI文章T0P，我:8O.551.O54,科目全,可十急
已经有4人回复
-
人气不行了
已经有8人回复
-
今天基金会出结果吗？20260819
已经有17人回复
-
售SCI一区T0P文章，我:8O.55.1.O.54,科目全,可伽急
已经有9人回复
-
时间戳今天，20号变了
已经有5人回复
-
放榜前的不淡定
已经有14人回复
-
建议基金发布提前给出明确的时间点
已经有13人回复
-
今日不放榜？网传国自然预计 8 月 27 日可查结果
已经有20人回复
