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Committer:
Alberto Garcia
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Date:
2019-03-06 15:04:06 UTC
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mfrom:
(762.1.1 trunk-merge-timing)
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Revision ID:
albertog@icmab.es-20190306150406-cxxbk8wh252p3ub7
Benchmark support: dummy solver and scf-step granularity
* Implemented 'dummy' solver for timing setup_H et al
By specifying
solution-method dummy
there is no actual solving for the new DM. DM_in is just copied over
to DM_out, with a minor norm-conserving random perturbation. EDM_out
is just a rescaled DM_out so that Tr(EDM*S)=Ebs.
This is useful for timing non-solver routines in Siesta.
NOTE: There should be no attempts to use other "solving" steps
in the fdf file (such as bands or pdos).
* Mechanism to split timings accross scf steps
By defining the variable
timing-split-scf-steps T
the timings for individual scf steps will be recorded separately.
NOTE: The 'tree' timer should be used to make meaningful use of this
information. It is enabled by default if the above variable is set.