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Topic Title: Modify default Gaussian Interface Input Template
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Created On: 8/28/2018 6:24 AM
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 8/28/2018 6:24 AM
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Jonathan UoH

Posts: 3
Joined: 8/28/2018

Is there a way to modify the default Gaussian Interface Input Template (under the Calculations -> Gaussian Interface -> Compute Properties -> General Tab).

Currently it has the declaration "%Mem=128MB" and we would like to change it to "%Mem=256MB".

I've seen TechNote 386 which indicates saving a copy of the config file, modifing it and then instructing Chem3D to use that, but this is more complicated that simply modifying the %Mem setting each time.

Thanks,


Jonathan

 8/30/2018 12:49 AM
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CS RNA

Posts: 615
Joined: 2/25/2009

The defualt value is 128 MB, you can alter the default value (present under the General tab) while performing the calcualation

example

as %Mem=256MB instead of %Mem=128MB



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- PKI Support

 8/30/2018 2:52 AM
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Jonathan UoH

Posts: 3
Joined: 8/28/2018

Thanks for the response. This is the approach that we are taking at the moment, but is there a way to change this to 256MB by default, so we don't have to modify the value each time a calculation is performed?

Some calculations fail if they only have 128MB allocated.

Thanks,

Jonathan

 9/11/2018 5:12 AM
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CS RNA

Posts: 615
Joined: 2/25/2009

Currently it is not possible. Let me pass on this information to the R&D team for future consideration..



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- PKI Support

 9/11/2018 6:04 AM
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Jonathan UoH

Posts: 3
Joined: 8/28/2018

Thank you. That would be very much appreciated, even if it was just a text file in the program folder.

Regards,

Jonathan

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