Dear ADF users:

Thank you for your help with the "small blocksize" problem. However, I've
run into another problem.

I'm running geometry optimization of 114-atom complex with D(4H) symmetry
with 20 processors on Linux SunOS5.8.

After the first SCF convergence but before the first geometry update, the
program dies with the following message:

 =============================
 G E O M E T R Y U P D A T E *** 1 ***
 =============================
===> WARNING: not all arrays were delocated
 STOP RECEIVED FROM 524290
 MESSAGE: STOP RECEIVED from 524290 , tag= 1655
 WARNING: not all scratch files were closed

Is is the problem with the machine that I'm running my calculations
on or with the program code ?

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 2002-02-18 15:13:40