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
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Received on Mon Jul 03 2017 - 03:00:02 PDT
