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:
**** 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
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Received on Fri Sep 18 2020 - 07:00:03 PDT
