[Pw_forum] dynmat.x - segmentation fault error

[Paolo Giannozzi]

On Nov 30, 2011, at 19:46 , Kacper Drużbicki 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