Mega - Flops accounting
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.
#1 Updated by Berk Hess over 2 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.