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标题: gamess做能量分解加赝势后不出能量分解的部分 [打印本页]

作者
Author: ytdx 时间: 2017-3-21 17:45
标题: gamess做能量分解加赝势后不出能量分解的部分
请各位老师指导

作者
Author: sobereva 时间: 2017-3-21 19:04
末尾有报错，MEMDDI不够
DDI array 1 will require 281 MWords more.
Therefore, increase MEMDDI by at least 2 MWords.

This job may still require additional DDI arrays,
so execution of EXETYP=CHECK is recommended.

THIS CALCULATION IS RUNNING WITH MWORDS= 80, MEMDDI= 200, AND P= 4
MEMORY USAGE PER CPU IS 8*(MWORDS + MEMDDI/P)/1024 = 1.0 GBYTES.

MINIMAL REQUIREMENT FOR THIS RUN IS MWORDS= 8, MEMDDI= 283.
FOR P= 4, THE MEMORY USAGE PER CPU(CORE) WOULD BE 0.6 GBYTES.

把memddi再增加一些再试。
传这样较大输出文件时请先压缩，以节省服务器空间，且降低下载耗时

作者
Author: ytdx 时间: 2017-3-24 16:39

sobereva 发表于 2017-3-21 19:04
末尾有报错，MEMDDI不够
DDI array 1 will require 281 MWords more.
Therefore, increase MEMDDI by at ...

谢谢老师，问题已解决。

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