| 查看: 1240 | 回复: 2 | ||
xjz_zjx木虫 (正式写手)
|
[求助]
请教vasp中CI-NEB编译问题
|
|
最近想用vasp中CI-NEB计算一些催化反应，按照VTST.Tools网页上给的code和tools以及guide进行了编辑，nebmake.pl能够正常插入images，但是进行频率计算时，出现下面问题，麻烦各位指点指点，多谢。 mpirun has exited due to process rank 19 with PID 31087 on node zjx10 exiting improperly. There are two reasons this could occur: 1. this process did not call "init" before exiting, but others in the job did. This can cause a job to hang indefinitely while it waits for all processes to call "init". By rule, if one process calls "init", then ALL processes must call "init" prior to termination. 2. this process called "init", but exited without calling "finalize". By rule, all processes that call "init" MUST call "finalize" prior to exiting or it will be considered an "abnormal termination" This may have caused other processes in the application to be terminated by signals sent by mpirun (as reported here). -------------------------------------------------------------------------- |
回复此楼» 猜你喜欢
有时候真觉得大城市人没有县城人甚至个体户幸福
已经有3人回复
-
CSC & MSCA 博洛尼亚大学能源材料课题组博士/博士后招生｜MSCA经费充足、排名优
已经有5人回复
-
酰胺脱乙酰基
已经有8人回复
-
有70后还继续奋斗在职场上的吗？
已经有6人回复
-
博士延得我，科研能力直往上蹿
已经有7人回复
-
退学或坚持读
已经有27人回复
-
面上基金申报没有其他的参与者成吗
已经有5人回复
-
遇见不省心的家人很难过
已经有22人回复
2楼2016-11-18 00:39:54
3楼2017-02-13 12:46:46