Hi Junjun:
The file name is actually “gau_job.inp.log” since the input file was “gau_job.inp”. Is this a setting issue with Gaussian09? Maybe I need to fix the file name of the automatically generated .log file?
Thanks for your help!
Andy Liu
> On Jul 3, 2017, at 11:51 AM, liu junjun <ljjlp03.gmail.com> wrote:
>
> What was the filename when looked into the ".log" file? Sander is supposed
> to read "gau_job.log" as the output from g09.
>
>
> Junjun
>
> On Mon, Jul 3, 2017 at 5:24 PM, Xichong Liu <xichongl.princeton.edu> wrote:
>
>> Dear all:
>>
>> I was trying to run a QM/MM simulation using Sander’s external interface
>> with Gaussian09. The input file was successfully generated from Sander and
>> passed to Gaussian09 without a problem. In addition, I looked into the .log
>> file and the program seems to have terminated normally. Moreover, there is
>> also a gau_job.chk file and and gau_job.fchk file in the working directory.
>> However, Sander unexpectedly quits and generates the message “SANDER BOMB
>> in subroutine read_results (qm2_extern_gau_module) Error opening Gaussian
>> log file gau_job.log (expected in same dir as input file). Will quit now”
>> in the .out file. Meanwhile there is a gau_job.inp.log file generated from
>> the input file in the working directory and it says Normal termination of
>> Gaussian 09 at the end of the file. Am I doing anything wrong?
>>
>> Thanks in advance!
>>
>> Andy Liu
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 03 2017 - 03:00:03 PDT
