On Jul 9, 2012, at 23:43 , Vo, Trinh (388C) wrote: > I am running very large job (nscf calculation 15x15x15) using QE > version 4.3.2. > The job keeps being crashed due to memory problem (out of memory, > RAM). > Is there a way that I can estimate how much memory (RAM) required > for running > a nscf calculation?
some explanations here: http://www.quantum-espresso.org/wp-content/uploads/Doc/ pw_user_guide/node13.html Note that a large number of k-points does not imply a large RAM, but a large number of bands does. P. --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
