AMBER Archive (2006)

Subject: AMBER: amber memory usage

From: Ed Pate (pate_at_math.wsu.edu)
Date: Fri Apr 14 2006 - 17:45:59 CDT

Dear Amber users:

I am trying to determine the memory usage from an Amber simulation as I
try to move the simulation to another computer.

The relevant part of the Sander output (I think) is

| Memory Use Allocated
| Real 7390458
| Hollerith 683261
| Integer 8078098
| Max Pairs 30967142
| Max Rstack 7500000
| Max Istack 5000000
| Duplicated 0 dihedrals
| Duplicated 0 dihedrals

Do I determine useage as (Real+Hollerith+Integer)*8 ?

Thanks for the help.

Ed Pate
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