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Installation and License Questions / Re: Doubled number of requsted licenses by using DFT geometry optimization
« on: October 2, 2013, 16:41 »
Ok. Thanks for the information.
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Installation and License Questions / Re: Doubled number of requsted licenses by using DFT geometry optimization
« on: October 2, 2013, 15:46 »
Sorry. I have ATK Version 12.2.0. What about this version?
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Installation and License Questions / Doubled number of requsted licenses by using DFT geometry optimization
« on: October 2, 2013, 13:55 »
Dear QuantumWise Forum,
I am using ATK Version 12.11 and I have a limited number of licenses. I start a DFT geometry optimization which is parallelized on n CPUs. Most time (I think during the electronic structure calculation) ATK uses n licenses as expected. But for a short time (I think during the force calculation) it needs 2n licences. So for this I can actually only use half the licenses I have available (which is a bit ugly).
Is this doubled number of requsted licenses intended?
Regards
Fabian Teichert
I am using ATK Version 12.11 and I have a limited number of licenses. I start a DFT geometry optimization which is parallelized on n CPUs. Most time (I think during the electronic structure calculation) ATK uses n licenses as expected. But for a short time (I think during the force calculation) it needs 2n licences. So for this I can actually only use half the licenses I have available (which is a bit ugly).
Is this doubled number of requsted licenses intended?
Regards
Fabian Teichert
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