CCL:G: Severe Error Message # 2070 in Gaussian09 Software

[Mark Zottola <mzottola^_^gmail.com>]

"132MW needed to complete this step"

In this day and age, this is like saying you need 2 bucks to buy a starbucks coffee - no big deal.  Even if running on a 32 bit machine, you should have access 2GB memory.

But there is not enough information to really give a good answer - if running mp2 is there enough of a scratch disk and has this guy attempted to optimize disk and memory to accommodate his system?

But at face value this seems to be a memory issue only.  Add more memory to the memory call in his input deck and he should be fine - though upgrading to a 64 bit OS to utilize more of his machine's memory would be an obvious first step to better performance, etc.

On Mon, Aug 12, 2013 at 8:16 PM, Mark Zottola <mzottola _ gmail.com> wrote:

"132MW needed to complete this step"

In this day and age, this is like saying you need 2 bucks to buy a starbucks coffee - no big deal.  Even if running on a 32 bit machine, you should have 2GB memory.

But there is not enough information to really give a good answer - if running mp2 is there enough of a scratch disk and has this guy attempted to optimize disk and memory to accommodate his system?

But at face value this seems to be a memory issue only.  Add more memory and he should be fine - though upgrading to a 64 bit OS to use more memory would be an obvious first step to better performance, etc.

On Mon, Aug 12, 2013 at 2:03 PM, Philippe Bourassa philippe.bourassa###gmail.com <owner-chemistry _ ccl.net> wrote:

Sent to CCL by: Philippe Bourassa [philippe.bourassa _ gmail.com]
Gaussian doesn't do crystal structures very well from my experience. There is also a very small memory limiy if you are using the 32 bit version of g09.

Care to post your input file?

On 2013-08-12, at 00:45, "Shaumik Ray rayshaumik * gmail.com" <owner-chemistry]^[http://ccl.net" target="_blank">ccl.net> wrote:

>
> Sent to CCL by: "Shaumik  Ray" [rayshaumik-*-gmail.com]
> am simulating some organic molecules (Cyanobenzaldehyde Isomers) with
> Gaussian09 and GaussView simulations. I bought the software a couple of
> months back.
>
> But I am getting some errors repeatedly for basis sets. I am basically
> drawing the full crystal structures. But when I am running simulations, its
> giving a Severe Error Message # 2070.
>
> Its giving "
> GradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGradGrad
> Berny optimization.
> Initialization pass.
> Out-of-memory error in routine Optmz1 (IEnd=     138347347 MxCore=
> 33554432)
> Use %mem=132MW to provide the minimum amount of memory required to complete
> this step.
> Error termination via Lnk1e in C:\G09W\l103.exe at Mon Aug 12 09:20:53 2013.
> Job cpu time:  0 days  0 hours  0 minutes 17.0 seconds.
> File lengths (MBytes):  RWF=      5 Int=      0 D2E=      0 Chk=      1 Scr=
> 1
> "
>
> So, basically it seems a memory issue but I am not being able to resolve.
>
> Any suggestions would be highly appreciated
>
> Thanks>
>



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