[Q-e-developers] openmp in QE

[Deyu Lu]

Dear QE developers:
         My research group plans to develop new modules based on QE to 
carry out excited state calculations.
Aiming at complex material structures normally involving large super 
cell, we try to decide what is the optimal
data structure and the related parallelization scheme. From the hardware 
point of view, as multicore CPUs prevail, OpenMP
exploiting shared memory and thread computing seems to be the right way 
to go in the future. This is case referred to as "explicit
OpenMP" in the user's guide. I'd appreciate if someone can help me 
understand what is the current status of the explicit OpenMP
implementation in QE and what would be the near future plan?

        Thank you very much!
        Deyu Lu

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Deyu Lu
Assistant Physicist, Theory & Computation Group
the Center for Functional Nanomaterials
Rm 1002, Building 735, Brookhaven National Lab
Upton, NY, 11973
webpage: http://www.bnl.gov/cfn/people/Deyu_Lu.asp
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