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vasp_intel_openmp 0000000000549A64 Unknown Unknown Unknown vasp_intel_openmp 00000000004566BC Unknown Unknown Unknown vasp_intel_openmp 00000000004308C6 Unknown Unknown Unknown libc.so.6 000000347A61ECDD Unknown Unknown Unknown vasp_intel_openmp 00000000004307B9 Unknown Unknown Unknown mpirun has exited due to process rank 1 with PID 31425 on node node5 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). 各位大神有沒有人知道這個錯誤是為什么,我在算4個原子時的能帶正常收斂輸出。算72 個原子的就不正常樂,這是為什么呢,我選的K點高對稱點不適合我的vasp嗎?我的vasp是5.2.11,我的K點是:k-points along high symmetry lines 201 Reciprocal 0.000000 0.000000 0.500000 1.00 0.000000 0.016667 0.500000 1.00 0.000000 0.033333 0.500000 1.00 0.000000 0.050000 0.500000 1.00 0.000000 0.066667 0.500000 1.00 0.000000 0.083333 0.500000 1.00 0.000000 0.100000 0.500000 1.00 0.000000 0.116667 0.500000 1.00 0.000000 0.133333 0.500000 1.00 0.000000 0.150000 0.500000 1.00 0.000000 0.166667 0.500000 1.00 0.000000 0.183333 0.500000 1.00, 各位大神幫幫忙吧,我是個新手,完全不知道怎么回事!拜托拜托! ![]() ![]() |
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多原子系統(tǒng)kpoint要設小比較好 但應該不是kpoint的問題導致你沒辦法算 你用grep E0 log檔 看能量有突然爆掉嗎 有的話就要調(diào)Incar的edigf edigff了 發(fā)自小木蟲Android客戶端 |
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