| 4:09:58 PM PDT - Tue, Apr 15th 2014 |
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Hi Edrisse,
I'll give you my two cents worth on this but it is likely that you will get another perspective from Karol and/or Edo.
Obviously in HPC there is a drive towards GPU and Intel Xeon Phi systems to reduce the energy requirements. In our efforts we are addressing these platforms as best as we can. However, achieving good performance on those platforms requires a fair chunk of work. Therefore, my expectation is that we are still some time away from getting optimal performance on the whole breath of NWChem capabilities on these accelerator based platforms. So unless you're targetting specific capabilities we are currently working on I would guess that it is too early to buy an accelerator based machine to run NWChem. The machine after your next machine we will be ready...
Huub
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