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[GAMESS-US] 使用gamess做eda分析,一直报错,ddikick.x: application process 10 quit unexpec...

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本帖最后由 星斗如盘 于 2022-10-25 18:30 编辑

使用gamess做eda分析,一直报错请问是什么原因?下面是报错信息ddikick.x: application process 10 quit unexpectedly.
..... DONE GENERATING CAVITY .....
CPU     0: STEP CPU TIME=     0.00 TOTAL CPU TIME=          6.1 (      0.1 MIN)
TOTAL WALL CLOCK TIME=          6.4 SECONDS, CPU UTILIZATION IS    95.96%

SAVING MOL INFO REQUIRES  54275507 WORDS OF MEMORY.
ddikick.x: application process 10 quit unexpectedly.
ddikick.x: Fatal error detected.
The error is most likely to be in the application, so check for
input errors, disk space, memory needs, application bugs, etc.
ddikick.x will now clean up all processes, and exit...
ddikick.x: Sending kill signal to DDI processes.
ddikick.x: Execution terminated due to error(s).
unset echo
----- accounting info -----
Files used on the master node SH-IDC1-10-140-0-185 were:
-rw-rw-r-- 1 liyuqiang liyuqiang    88535 Oct 25 16:49 /nvme/liyuqiang/gamess/scr/L4-TS2-def2tzvp-eda.dat
-rw-rw-r-- 1 liyuqiang liyuqiang 23504092 Oct 25 16:49 /nvme/liyuqiang/gamess/scr/L4-TS2-def2tzvp-eda.F05
-rw-rw-r-- 1 liyuqiang liyuqiang 48785520 Oct 25 16:49 /nvme/liyuqiang/gamess/scr/L4-TS2-def2tzvp-eda.F10
-rw-rw-r-- 1 liyuqiang liyuqiang        0 Oct 25 16:49 /nvme/liyuqiang/gamess/scr/L4-TS2-def2tzvp-eda.F26
-rw-rw-r-- 1 liyuqiang liyuqiang        0 Oct 25 16:49 /nvme/liyuqiang/gamess/scr/L4-TS2-def2tzvp-eda.F27
ls: No match.
ls: No match.
ls: No match.
Tue Oct 25 16:49:12 CST 2022
0.083u 0.079s 0:08.16 1.8%        0+0k 0+45936io 0pf+0w
输入文件利用MOKIT自动产生,相同设置其他产生的inp输入文件不报错


L4-TS2-def2tzvp-eda.zip

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