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[求助]
Gamess做优化时出错，望诸位大侠帮忙。 已有1人参与
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用gamess做优化，出现以下错误： DAF RECORD 383 NEW LENGTH = 810 OLD LENGTH = 809 EXECUTION OF GAMESS TERMINATED -ABNORMALLY- AT Wed Dec 18 05:44:03 2013 14504386 WORDS OF DYNAMIC MEMORY USED *** ERROR *** IN -DAWRIT- ROUTINE ON NODE 6 DAWRIT HAS REQUESTED A RECORD WITH LENGTH DIFFERENT THAN BEFORE - ABORT FORCED. DAF RECORD 383 NEW LENGTH = 810 OLD LENGTH = 809 *** ERROR *** IN -DAWRIT- ROUTINE ON NODE 3 DAWRIT HAS REQUESTED A RECORD WITH LENGTH DIFFERENT THAN BEFORE - ABORT FORCED. DAF RECORD 383 NEW LENGTH = 810 OLD LENGTH = 809 *** ERROR *** IN -DAWRIT- ROUTINE ON NODE 9 DAWRIT HAS REQUESTED A RECORD WITH LENGTH DIFFERENT THAN BEFORE - ABORT FORCED. DAF RECORD 383 NEW LENGTH = 810 OLD LENGTH = 809 *** ERROR *** IN -DAWRIT- ROUTINE ON NODE 1 DAWRIT HAS REQUESTED A RECORD WITH LENGTH DIFFERENT THAN BEFORE - ABORT FORCED. DAF RECORD 383 NEW LENGTH = 810 OLD LENGTH = 809 *** ERROR *** IN -DAWRIT- ROUTINE ON NODE 2 DAWRIT HAS REQUESTED A RECORD WITH LENGTH DIFFERENT THAN BEFORE - ABORT FORCED. DAF RECORD 383 NEW LENGTH = 810 OLD LENGTH = 809 …… 不知道以上是什么错误，也不知如何解决，请诸位帮帮忙，谢谢！ |
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本帖内容被屏蔽 |
2楼2013-12-24 08:17:45
3楼2013-12-26 09:37:16
4楼2014-01-01 15:01:54
【答案】应助回帖
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GAMESS contains two memory allocation schemes. For some systems, a primitive implementation allocates a large array of a *FIXED SIZE* in a common named /FMCOM/. This is termed the "static" implementation, and the parameter MWORDS in $SYSTEM cannot request an amount larger than chosen at compile time. Wherever possible, a "dynamic" allocation of the memory is done, so that MWORDS can (in principle) request any amount. The memory management routines take care of the necessary details to fool the rest of the program into thinking the large memory pool exists in common /FMCOM/. 這是我在GAMESS文件裏看到的。不知道有沒有關係 |
5楼2014-01-01 19:50:25
5