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superAchung銅蟲 (初入文壇)
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[求助]
在 win 版 MS下運行 Castep 報錯
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???ǹ? MS 5.5????????\?в????????e?? ???e???????: ************************************************************************ The memory required for this calculation exceeds machine capacity. Unable to continue. Run will be ABORTED. Suggestions: Check the run setup is reasonable; in particular cell dimensions, number of atoms, plane wave cutoff all affect memory consumption. Investigate the parameters "opt_strategy"/"opt_strategy_bias" and "page_wvfns" which may be used to reduce memory requirements. If the calculation is being run on a distributed memory computer consider increasing the number of processors. It may be necessary to run this calculation on another computer with more RAM or upgrade the physical RAM on the current system. ************************************************************************ ??????k?????????w???????????? ??????·????????? |
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提交任務(wù)頁面的最后一個標簽頁,有Speed,Default和Memory三個選項,如果內(nèi)存不足,可以考慮嘗試Memory,這時除了中間數(shù)據(jù),所以其他數(shù)據(jù)都通過硬盤交換,占用內(nèi)存最小。 但是,這樣計算時,會由于大量讀寫硬盤,造成系統(tǒng)運行極慢(基本就不能做別的事情了),并且運算速度也比較慢的問題~ |

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