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霧里的天堂木蟲(chóng) (正式寫(xiě)手)
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[求助]
MS 8.0 算的能量, 顯示的是收斂的但是最后計(jì)算結(jié)果是失敗
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=========================================================== All bands spilling parameter for spin component 1 = 0.92% Last known process information: =============================== Name: castepexe.exe State: R (running) Tgid: 8498 Pid: 8498 PPid: 8493 TracerPid: 0 Uid: 500 500 500 500 Gid: 502 502 502 502 Utrace: 0 FDSize: 64 Groups: 426 502 20001 VmPeak: 4307608 kB VmSize: 4307432 kB VmLck: 9788 kB VmHWM: 2986420 kB VmRSS: 2986420 kB VmData: 3900748 kB VmStk: 61272 kB VmExe: 96728 kB VmLib: 9912 kB VmPTE: 6420 kB VmSwap: 41016 kB Threads: 2 SigQ: 0/515506 SigPnd: 0000000000000000 ShdPnd: 0000000000000000 SigBlk: 0000000000000000 SigIgn: 0000000000000000 SigCgt: 00000001800046ae CapInh: 0000000000000000 CapPrm: 0000000000000000 CapEff: 0000000000000000 CapBnd: ffffffffffffffff Cpus_allowed: 0000,00000000,00000000,00000000,00000000,00000000,00000000,00000001 Cpus_allowed_list: 0 Mems_allowed: 00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000001 Mems_allowed_list: 0 voluntary_ctxt_switches: 259911 nonvoluntary_ctxt_switches: 1106225 |
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