| 查看: 1298 | 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
研究生做的很差，你们会让毕业吗？
已经有9人回复
-
求碳排放博导；方向是LCA、生命周期可持续发展以及碳排放
已经有7人回复
-
2026博士申请求助
已经有4人回复
-
2026博士或科研助理转27年博士
已经有7人回复
-
急招2026年9月份入学博士
已经有3人回复
-
26申博
已经有3人回复
-
申博自荐
已经有7人回复
-
26年博士申请自荐-电催化
已经有7人回复
-
2026年博士申请求捞
已经有3人回复
-
国自科送审了吗
已经有11人回复
2楼2016-11-18 00:39:54
3楼2017-02-13 12:46:46