Please read the manual, there is no namelist variable “gms_version”. Hence the error reading the namelist.
The Gaussian executable has to be called g09 and has to be in your PATH. The interface tries to call g09, if this fails g03, and if this fails it will quit. You have to set up your environment accordingly.
In your case, if you type
which g09
it should return something like
/path/to/gaussian/09.e.01/g09
All the best,
Andy
—
Dr. Andreas W. Goetz
Assistant Research Scientist
San Diego Supercomputer Center
Tel: +1-858-822-4771
Email: agoetz.sdsc.edu
Web: www.awgoetz.de
> On Jan 5, 2018, at 12:12 PM, Thakur, Abhishek <axt651.miami.edu> wrote:
>
> Hi,
>
> Yes, I have put them in quotes but still, it does not work.
>
> !method=‘B3LYP’,
> !basis=‘6-31G**’,
>
>
> I cannot get what do you mean by illegal number, this is the gaussian version which I am trying to call for the calculation
>
> gaussian/09.e.01
>
> ________________________________
> From: David A Case <david.case.rutgers.edu>
> Sent: Friday, January 5, 2018 9:04:18 AM
> To: AMBER Mailing List
> Subject: Re: [AMBER] qm2_extern_gau_module
>
> On Fri, Jan 05, 2018, Thakur, Abhishek wrote:
>
>> gms_version=09.e.01,
> ^^^^^^^^^
>
> This is an illegal number. Make it legal and see if that helps. If it is
> supposed to be a string, are you sure you put quotes around it?
>
> ....dac
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Flists.ambermd.org%2Fmailman%2Flistinfo%2Famber&data=02%7C01%7Caxt651%40miami.edu%7C0e7b3192215c48b2f7cb08d554778f2a%7C2a144b72f23942d48c0e6f0f17c48e33%7C0%7C0%7C636507794835677712&sdata=OkMBNZOT4K2Qal6kZ7yolyL4mpBjNRc%2BjHmQmgwfuRs%3D&reserved=0
> _______________________________________________
> 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 Fri Jan 05 2018 - 14:00:05 PST
