Hi,
Somebody probably already knows how to do this:
Turn this pmemd output into a single memory consumption number:
===
Number of triangulated 3-point waters found: 7023
| Dynamic Memory, Types Used:
| Reals 723645
| Integers 712219
| Nonbonded Pairs Initial Allocation: 7125706
| GPU memory information (estimate):
| KB of GPU memory in use: 75801
| KB of CPU memory in use: 28551
===
(8*7125706+4*712219+8*723645)/1024 = 64105.16015625 kB
which is not equal to 75801, or 28551, or 75801-28551, so comments
are welcome.
thanks,
scott
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Received on Thu May 24 2018 - 11:30:03 PDT
