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xjz_zjx木蟲 (正式寫手)
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[求助]
請教vasp中CI-NEB編譯問題
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最近想用vasp中CI-NEB計算一些催化反應，按照VTST.Tools網(wǎng)頁上給的code和tools以及guide進行了編輯，nebmake.pl能夠正常插入images，但是進行頻率計算時，出現(xiàn)下面問題，麻煩各位指點指點，多謝。 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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