Posted by Valera Veryazov on February 04, 2009 at 16:58:15:
In Reply to: Re: A strange limit of 28 iterations in geometry optimization procedure posted by Evgeniy on February 04, 2009 at 16:41:22:
Evgeniy,
: Saying "it might be that the memory was exhausted" you mean there is some memory leakage?
Well, this is quite difficult to make memory leaks in Fortran77.. But GA reserves some memory for communication, so my first thought was that this is a similar situation to one, you recently discovered - SHMMAX parameter..
If your calculation is reasonable in size - you are welcome to submit a bug report (with the input), so I can check the problem. But I have a feeling that this is more machine related, rather than molcas related problem