[phenixbb] Memory and CPU usage

Pavel Afonine pafonine at lbl.gov
Sat Jul 21 09:43:49 PDT 2012


Hi Nat,

>>   Assuming for the moment that you have 90x90x90
>> unit cell edges, you can calculate the approximate memory size of an
>> FFT'd map using this formula:
>>
>> map_size = 8 * a * b * c * (d_min/3)^3

I see (d_min/3) in your formula above as a grid step factor. Most of map 
calculations in phenix.refine and tools around it use (d_min/4). Putting 
this into your formula

map_size = 8 * a * b * c * (d_min/4)^3

will obviously result in a smaller map, which isn't true. Am I missing 
something?

Pavel



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