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superAchung

铜虫 (初入文坛)

[求助] 在 win 版 MS下運行 Castep 報錯

???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.
************************************************************************
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??????·?????????
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贺仪

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franch(金币+1): 谢谢回帖交流 2011-07-25 20:45:01
你可以减小内存的使用,比如使用低精度,不用并行,减小k点的数目等
嘟啦啦嘟啦啦嘟
4楼2011-07-25 18:36:24
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franch

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uuv2010(金币+1): 多谢提示 2011-07-25 13:47:07
The memory required for this calculation exceeds machine capacity.    内存不够!
遇弱则弱
2楼2011-07-25 12:45:41
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cymjlu

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uuv2010(金币+1): 多谢提示 2011-07-25 13:47:15
体系估计比较大,内存不够用啊
3楼2011-07-25 12:55:19
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souledge

专家顾问 (著名写手)

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franch(金币+2): 谢谢回帖交流 2011-08-01 21:33:57
superAchung(金币+2): 2011-08-14 19:14:14
提交任务页面的最后一个标签页,有Speed,Default和Memory三个选项,如果内存不足,可以考虑尝试Memory,这时除了中间数据,所以其他数据都通过硬盘交换,占用内存最小。
但是,这样计算时,会由于大量读写硬盘,造成系统运行极慢(基本就不能做别的事情了),并且运算速度也比较慢的问题~
思想重于技巧,内涵重于表象
5楼2011-08-01 16:28:55
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