The ABINIT Users Mailing List ( CLOSED )

["Nichols A. Romero" <nromero@uiuc.edu>]

Hi,

Has anyone used ABINIT in OMP mode to do GS calculation on fullerenes?
Working on an IBMp690 with 32 threads, I'm not seeing any significant
speed up for this system. I would try running it in MPI mode but I think
there is only a speedup for nkpts > 1.

Would ABINIT benefit from using either SCALAPACK or PLAPACK?

Bests,
-- 
Nichols A. Romero

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