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Bug #2278

Mega - Flops accounting

Added by Marie-Madeleine Walz almost 3 years ago. Updated almost 3 years ago.

Status:
Rejected
Priority:
Normal
Assignee:
-
Category:
mdrun
Target version:
-
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
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Description

In the .log file there is a the section called Mega-Flops accounting.

Comparing the values for M-Number and M-Folps for the categories
"NB VdW [V&F]", "NB Elec. [V&F]" and "NB VdW & Elec. [V&F]"
it appears that the M-Number might be wrong.

In these categories the M-Number is always equal to the M-Flops value,
and the M-Number seems to be in general too high.

History

#1 Updated by Berk Hess almost 3 years ago

  • Status changed from New to Rejected

The numbers are intentionally equal, although this is indeed confusing. The numbers are also correct.
Note that these are the deprecated group-scheme non-bonded kernels, which will be removed in the 2018 release. You should be using the verlet-scheme kernels, unless they don't support what you need.

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