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
