Dear Francois,
The job number on the RED was P537 , if it is the reference you mentioned.
We increased memory space to 8GB during Gaussian (g09) calculation, not in
running the RED-vIII.4.pl, because we tried Mode 2 of the package, and it
requires the Gaussian input for geometry optimization.
We thought we might calculate it separately and input to the RED-vIII.4
later.
Note that I modified my p2n file in CONECT part for correct connections of
the atoms. Would it be the reason of the error? But I might not think so.
Thank you.
Chinsu
On Tue, Oct 12, 2010 at 2:17 PM, FyD <fyd.q4md-forcefieldtools.org> wrote:
> Dear Chinhsu,
>
> > I uploaded my p2n file to the RED server to calculate atomic charges for
> my
> > molecule, but keep getting errors from the result as below:
> >
> > *"Error termination via Lnk1e in /usr/local/g03-userred/l103.exe at Mon
> Oct
> > 11 10:40:27 2010.
> > Job cpu time: 0 days 0 hours 0 minutes 6.6 seconds."
> > *
> > I was using Mode 1 in the RED with Gaussian to either optimize geometry
> and
> > compute the charges.
>
> This is difficult to answer without knowing the reference of your
> project in R.E.D. Server. Indeed, Gaussian outputs are striped in
> R.E.D. Server in agreement with the license we got with Gaussian Inc.
> This means that we might need to update R.E.D. IV to incorporate new
> error messages which are not yet handled...
>
> Many new features are going to show up in R.E.D. Server 2.0...
>
> > Meanwhile, I used the perl package for RED-vIII.4. pl too, but got the
> > error in insufficient memory for Gaussian (g09) running.
>
> Did you try to increase the memory size in III.4 ?
>
> [fyd.lynx RED-III.4-Tools-Files]$ grep -n "Mem" RED-vIII.4.pl
> 1323: printf JOB1_FILE ("%%Mem=256MB \n");
> 2027: printf JOB2_FILE ("%%Mem=256MB \n");
>
> It is likely that the same error appends in R.E.D. IV/R.E.D. Server;
> if you provide me the reference(s) of your R.E.D. Server job(s), I
> could have a look.
>
> regards, Francois
>
>
>
>
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Received on Tue Oct 12 2010 - 00:00:03 PDT
