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-iter qmr2 by default #289

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alkichigin opened this issue Mar 17, 2021 · 1 comment
Open

-iter qmr2 by default #289

alkichigin opened this issue Mar 17, 2021 · 1 comment
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comp-Logic Related to internal code logic comp-UI Related to user interface (command line, input files) performance Simulation speed, memory consumption pri-Medium Worth assigning to a milestone
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@alkichigin
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According to the manual, "QMR2 is expected to be faster than QMR in finite-precision arithmetic [81] and requires slightly less memory".
Right now testing (from 1 to 30 eV)
adda -shape sphere -size 300 -grid 30 -beam electron 300 20 0 0 1 -prop 0 0 -1 -eps 4 -sym enf -scat_matr none -pol cm -no_vol_cor -iter qmr2 -lambda 41.32806614120375 -m 1.5 0.0
and qmr2 converges faster (converges at all) than qmr or especially bcgs2.
In other cases qmr2 might be preferable than qmr as well.

@myurkin myurkin added comp-Logic Related to internal code logic comp-UI Related to user interface (command line, input files) performance Simulation speed, memory consumption pri-Medium Worth assigning to a milestone labels Mar 17, 2021
@myurkin myurkin added this to the 1.5 milestone Mar 17, 2021
@myurkin
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myurkin commented Mar 17, 2021

It's a good idea. The only caveat is that it may (potentially) affect the automatic tests (tests/2exec) that are performed prior to release. So they should be run after the default iterative solver is changed.

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comp-Logic Related to internal code logic comp-UI Related to user interface (command line, input files) performance Simulation speed, memory consumption pri-Medium Worth assigning to a milestone
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