Dear Gagandeep,
I am not an expert of GAMESS-US, you can contact the GAMESS-US people for help.
Hope it helps,
Pengfei
> On Sep 18, 2020, at 9:47 AM, gagandeep singh <gagan.sk.1994.gmail.com> wrote:
>
> Dear Amber Users
> I am trying to build a bonded model for my protein system that has
> alpha-ketoglutarate and Fe3+ ion as co-factors following the MCPB.py
> tutorial.
> While performing the GAMESS-US calculations for the Fe3+ ion, i am getting
> the following error:
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> **** TYP=RHF MUST HAVE MULT=1 *** EXECUTION OF GAMESS TERMINATED
> -ABNORMALLY- AT Fri Sep 18 18:51:58 2020 580000 WORDS OF
> DYNAMIC MEMORY USED CPU 0: STEP CPU TIME= 0.02 TOTAL CPU TIME=
> 0.0 ( 0.0 MIN) TOTAL WALL CLOCK TIME= 0.3 SECONDS, CPU
> UTILIZATION IS 9.37% DDI Process 0: error code 911 ddikick.x:
> application process 0 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... DDI Process 1:
> terminated upon request. 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 gsk-HP-EliteBook-840-G1
> were:-rw-rw-r-- 1 gsk gsk 1069 Sep 18 18:42 .//FE_small_opt.com-rw-rw-r--
> 1 gsk gsk 3375 Sep 18 18:51 .//FE_small_opt.dat-rw-rw-r-- 1 gsk gsk
> 1310 Sep 18 18:51 .//FE_small_opt.F05-rw-rw-r-- 1 gsk gsk 785280 Sep 18
> 18:51 .//FE_small_opt.F10-rw-rw-r-- 1 gsk gsk 1310 Sep 18 18:42
> .//FE_small_opt.inp-rw-rw-r-- 1 gsk gsk 39549 Sep 18 18:52
> .//FE_small_opt.logls: No match.ls: No match.ls: No match.Friday 18
> September 2020 06:52:00 PM IST0.0u 0.0s 0:02.60 3.4% 0+0k 336+16io 1pf+0w*
>
> Can anyone of you please guide me how to troubleshoot this ?
> The FE_small_opt.log file is attached for the reference.
> Hoping to hear your expert advice.
> Thanks in advance.
>
> Regards
> Gagandeep Singh
> Research Scholar-
> KSBS,IITD
> <FE_small_opt.log>_______________________________________________
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Received on Thu Oct 22 2020 - 14:30:03 PDT
