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xjz_zjx木虫 (正式写手)
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[求助]
请教vasp中CI-NEB编译问题
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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). -------------------------------------------------------------------------- |
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