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zzy1123木虫 (小有名气)
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[交流]
【求助】结构优化过程 程序运行中断
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WARNING: Sub-Space-Matrix is not hermitian in DAV 1 5.402047782120960E-005 WARNING: Sub-Space-Matrix is not hermitian in DAV 1 5.402047782120960E-005 log 文件给出这样的提示，然后程序就自动停止执行，请教高手这是为什么？要怎么解决？ |
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8楼2009-10-17 09:50:26
shengxiaohong
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2楼2009-10-10 10:41:07
wangzg9292
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fegg7502(金币+1,VIP+0):鼓励交流2 10-17 17:33
fegg7502(金币+1,VIP+0):鼓励交流2 10-17 17:33
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同问一个问题，我在优化后做静态计算把CONTCAR copy成POSCAR后，为什么出现这个错误，原先的POSCAR都可以 vasp.4.6.36 17Feb09 complex POSCAR found : 2 types and 16 ions LDA part: xc-table for Ceperly-Alder, standard interpolation forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vasp 00000000004AE4C6 Unknown Unknown Unknown vasp 00000000004AA464 Unknown Unknown Unknown vasp 000000000041CBE8 Unknown Unknown Unknown vasp 0000000000415CBC Unknown Unknown Unknown libc.so.6 0000003A4DC1C3FB Unknown Unknown Unknown vasp 0000000000415BEA Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vasp 00000000004AE4C6 Unknown Unknown Unknown vasp 00000000004AA464 Unknown Unknown Unknown vasp 000000000041CBE8 Unknown Unknown Unknown vasp 0000000000415CBC Unknown Unknown Unknown libc.so.6 0000003A4DC1C3FB Unknown Unknown Unknown vasp 0000000000415BEA Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vasp 00000000004AE4C6 Unknown Unknown Unknown vasp 00000000004AA464 Unknown Unknown Unknown vasp 000000000041CBE8 Unknown Unknown Unknown vasp 0000000000415CBC Unknown Unknown Unknown libc.so.6 0000003A4DC1C3FB Unknown Unknown Unknown vasp 0000000000415BEA Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vasp 00000000004AE4C6 Unknown Unknown Unknown vasp 00000000004AA464 Unknown Unknown Unknown vasp 000000000041CBE8 Unknown Unknown Unknown vasp 0000000000415CBC Unknown Unknown Unknown libc.so.6 0000003A4DC1C3FB Unknown Unknown Unknown vasp 0000000000415BEA Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vasp 00000000004AE4C6 Unknown Unknown Unknown vasp 00000000004AA464 Unknown Unknown Unknown vasp 000000000041CBE8 Unknown Unknown Unknown vasp 0000000000415CBC Unknown Unknown Unknown libc.so.6 0000003A4DC1C3FB Unknown Unknown Unknown vasp 0000000000415BEA Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vasp 00000000004AE4C6 Unknown Unknown Unknown vasp 00000000004AA464 Unknown Unknown Unknown vasp 000000000041CBE8 Unknown Unknown Unknown vasp 0000000000415CBC Unknown Unknown Unknown libc.so.6 0000003A4DC1C3FB Unknown Unknown Unknown vasp 0000000000415BEA Unknown Unknown Unknown forrtl: severe (174): SIGSEGV, segmentation fault occurred Image PC Routine Line Source vasp 00000000004AE4C6 Unknown Unknown Unknown vasp 00000000004AA464 Unknown Unknown Unknown vasp 000000000041CBE8 Unknown Unknown Unknown vasp 0000000000415CBC Unknown Unknown Unknown libc.so.6 0000003A4DC1C3FB Unknown Unknown Unknown vasp 0000000000415BEA Unknown Unknown Unknown -------------------------------------------------------------------------- mpirun has exited due to process rank 1 with PID 396 on node node4 exiting without calling "finalize". This may have caused other processes in the application to be terminated by signals sent by mpirun (as reported here). -------------------------------------------------------------------------- |
3楼2009-10-12 12:30:15
4楼2009-10-13 00:22:46