On Sep 23, 2012, at 16:43 , Alexey Akimov wrote: > If i restart the calculations with the latest (most optimal) > configuration of the system and the same amount of memory > allocated, the further optimization can proceed some more time > (also ~50 - 70 steps) before next crash.
this should not happen, unless your optimization procedure keeps oscillating between large and small volumes. 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
