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léon_WANG木蟲 (小有名氣)
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[求助]
聲子計(jì)算出錯(cuò)
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救命啊，聲子計(jì)算老出現(xiàn)這種錯(cuò)誤，好像內(nèi)存要求越來越大，怎么破 Phonon calculation: q-point 3 (of 9) (-0.200, 0.000, 0.000): 30976.48s ------------------------------------------------------------------------------- Perturbation 1 (of 9): O 1 X at q=(-0.200, 0.000, 0.000): 30976.69s Parallel strategy changed for perturbation using 91 k-points Data is distributed by G-vector(1-way) and k-point(91-way) and band(1-way) +---------------- MEMORY AND SCRATCH DISK ESTIMATES PER PROCESS --------------+ | Memory Disk | | Model and support data 19.9 MB 0.0 MB | | DFPT phonon calculation requirements 161.4 MB 0.0 MB | | ----------------------------- | | Approx. total storage required per process 181.3 MB 0.0 MB | | | | Requirements will fluctuate during execution and may exceed these estimates | +-----------------------------------------------------------------------------+ Last known process information: =============================== Name: castepexe.exe State: R (running) SleepAVG: 35% Tgid: 29116 Pid: 29116 PPid: 29109 TracerPid: 0 Uid: 1146 1146 1146 1146 Gid: 100 100 100 100 FDSize: 256 Groups: 100 VmPeak: 859680 kB VmSize: 859656 kB VmLck: 33608 kB VmHWM: 449872 kB VmRSS: 449872 kB VmData: 389060 kB VmStk: 2592 kB VmExe: 96728 kB VmLib: 9628 kB VmPTE: 1640 kB StaBrk: 15cbf000 kB Brk: 2be53000 kB StaStk: 7ffff9d50280 kB Threads: 3 SigQ: 0/987136 SigPnd: 0000000000000000 ShdPnd: 0000000000000000 SigBlk: 0000000000000000 SigIgn: 0000000000000001 SigCgt: 00000001800046ae CapInh: 0000000000000000 CapPrm: 0000000000000000 CapEff: 0000000000000000 Cpus_allowed: 00000000,00000000,00000000,00000000,00000000,00000000,00000000,00000001 Mems_allowed: 00000000,000000ff |
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2樓2016-03-16 17:43:10
léon_WANG
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3樓2016-03-16 19:26:23
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