On Nov 30, 2011, at 19:46 , Kacper Dru?bicki wrote: > I get the following error while trying to diagonalize the dynamic > matrix > for the 186 atomic system. > > Reading Dynamical Matrix from file matdyn > ...Force constants read > ...epsilon and Z* read > Segmentation fault
too much memory used. Unfortunately the code "dynmat" uses a disproportionate amount of memory to enforce the Acoustic Sum Rule with sophisticated algorithms. You need to modify the code in such a way that 1) it doesn't use large automatic arrays, and 2) it allocates only those arrays that are actually needed. Then you may still need to switch to asr='simple' 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