[Pw_forum] memory usage

[Paolo Giannozzi]

On Feb 16, 2007, at 12:27 , Marcel Mohr wrote:

> how can i print or estimate the memory a calculation would need?

estimate: there is a subsection "Memory requirements" in the user's
guide. It is not very detailed but it gives you an idea. Print: there  
is a
routine "memstat" that can be called after the initialization phase and
after largest arrays have been allocated (you could try to call it  
after line
   WRITE( stdout, 9000 ) get_clock( 'PWSCF' )
in electrons.f90). It calculates (linux, aix, and a few other OS) the  
size
of the dynamically allocated memory only. It is not the maximum
memory size because a nonnegligible amount of memory is allocated
later, during self-consistency. Keeping track on how much memory is
really used is a nontrivial task.

Paolo
---
Paolo Giannozzi, Democritos and University of Udine, Italy