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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). 各位大神有没有人知道这个错误是为什么，我在算4个原子时的能带正常收敛输出。算72 个原子的就不正常乐，这是为什么呢，我选的K点高对称点不适合我的vasp吗？我的vasp是5.2.11，我的K点是：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， 各位大神帮帮忙吧，我是个新手，完全不知道怎么回事啊！拜托拜托啊！    |
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11楼2016-04-20 18:02:10
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小木虫: 金币+0.5, 给个红包，谢谢回帖
小木虫: 金币+0.5, 给个红包，谢谢回帖
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多原子系統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Incar的edigf edigff了 发自小木虫Android客户端 |
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