QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: ramkrishna on April 28, 2016, 01:18

Title: FHI-aims
Post by: ramkrishna on April 28, 2016, 01:18

Dear Sir,
If the ATK license contains FHI-aims features, then can we use in separately installed FHI-aims software?

Thanks
Ramkrishna

Title: Re: FHI-aims
Post by: Umberto Martinez on April 29, 2016, 13:58

The FHI-Aims  feature in the ATK license is an extra feature that needs to be purchased separately.
Please contact [email protected] for more information.

Title: Re: FHI-aims
Post by: ramkrishna on April 29, 2016, 17:46

Hi Umbarto,
I know that and our ATK license already has the FHI-aims feature. What I am asking is, if we install FHI-aims separately, then can we use ATK license to run FHI-aims?

Thanks
Ramkrishna

Title: Re: FHI-aims
Post by: Anders Blom on April 29, 2016, 18:13

I don't think you need any license file whatsoever to run FHI-aims standalone, do you? You just compile it and run.

Title: Re: FHI-aims
Post by: ramkrishna on April 29, 2016, 21:24

Hi Anders,
I got your point but to run in a batch system, I think it will require floating license. Is it possible to use ATK-license in that case?

Thanks
Ramkrihna

Title: Re: FHI-aims
Post by: Anders Blom on April 30, 2016, 23:46

Maybe better I explain how the license works. If you want to launch FHI-aims through the ATKPython layer, then you need a license from QuantumWise. This can be a floating (server) or nodelocked (which of  course doesn't work on a batch system), just like any other license from us. If you run the standalone FHI-aims binary, then
a) you have to make your own input files
b) there is no license check at all, but you must of course have a legal copy of the binaries.