Dear ADF users:

I'm trying to perform geometry optimization of a transition
metal complex containing total 114 atoms (15 atoms are symmetry
independent) with 1264 basis functions.

However, the program dies with the following message:

Block Length= 5
**** WARNING : very small Blocksize
Real Worksize too small
STOP RECEIVED from 524290 , tag= 290

Would you have any suggestions on how efficiently increase the real
worksize ? I'm working on Linux SunOS5.8 systems with 333 MHz and 256 MB
RAM, and 750 MHz and 1024 MB RAM.

Thanks,

Irina
        *****************************************
        Irina Novozhilova
        Department of Chemistry
        733 Natural Sciences & Math Complex
        State University of New York at Buffalo
        Buffalo, New York 14260-3000
        E-mail: chem9988_at_acsu.buffalo.edu
        Tel.: +1 (716) 645-6800 x.2218
        Fax : +1 (716) 645-6948
        *****************************************
Received on 2002-02-13 22:48:36