In data 19 agosto 2009 alle ore 15:15:55, Raji Abdulrafiu <tunderaji at gmail.com> ha scritto: > Despite all these steps, the error persists, and > I am just not sure of what to do again. I need help please!. I am > using ver.4.0 of QE, and the calculation is being done using the > CINECA parallel computers.
Dear Raji, the memory usage of projwfc.x only depends on the wfc cutoff, all the other chages were probably irrelevant. The code loads the wavefunctions for all bands from one k point at a time, and for all atomic wavefunctions at the same time. The amount of required memory can increase fast with the number of atoms and with the number of bands. Furthermore that code is not parallelized (at the moment), this could cause some problem. I would advice you to request an entire node (4 processors) for the calculation and than only use one processor, in this way you'll have 8GB of RAM all for yourself. If it still does not work, please ask again providing more detail about your system, and *important* the version of QE you are using. best regards -- Lorenzo Paulatto SISSA & DEMOCRITOS (Trieste) phone: +39 040 3787 511 skype: paulatz www: http://people.sissa.it/~paulatto/ *** save italian brains *** http://saveitalianbrains.wordpress.com/
