Dear all,
The mpi run is used in my calculation, but I hear of that the kpoints cannot be
allocated to every cpu unless a parameter is specified in the input file. I
don't know it, so my calculation is quite slow.
So, dear professors, would you tell me what is the parameter?
Thanks a lot!
Pla
i, China
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Mohnish Pandey
BTech-Mtech, IIT Kanpur
Senior Project Associate,
Department of Chemical Engineering,
IIT KANPUR, UP, INDIA
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Dear Tao,
Perhaps you are asking about 'pools' level of parallelization, though
it does not have an input parameter attached, there is an option tag:
npool.
you can read more about it here:
http://www.quantum-espresso.org/user_guide/node18.html
best,
emine kucukbenli, phd student, sissa, italy
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On Sep 2, 2011, at 15:54 , Elie Moujaes wrote:
> I have a simple question: does the total force acting
> on a system depend on the number of k-points used?
not sure what you mean by "total force", but forces on
atoms depend upon the number of k-points, for sure
> That is in my scf calculation
On Sep 1, 2011, at 18:00 , Julen Ibanez Azpiroz wrote:
> Dear Wannier90 users,
you may have better luck with the Wannier90 mailing list:
http://www.democritos.it/mailman/listinfo/wannier
P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udi
