Dear adf users,
I did some geometry optimation jobs for a large molecule has 130 atoms.It
always stopped with the following error message:
---------------------------------------------------------------------------
STOP RECEIVED FROM 1048577
MESSAGE: STOP RECEIVED from 786433 , tag= 3347
******************************************************************************
ADF EXIT called
STOP RECEIVED from 1048577 , tag= 3349
******************************************************************************
==================================
Memory not completely deallocated!
==================================
Number of unbalanced allocate calls: 1
Maximum number of active allocate calls: 37
Still allocated: 1 smat (CLSMAT)
******************************************************************************
A D F E X I T
pp info: terminating timer clsmat p
pp info: terminating timer clsmat
STOP RECEIVED from 1048577 , tag= 3349
Current Execution Stack has 3 elements
Last to be Executed : ADF
Stack of Active SubPrograms:
----------------------------
CLSMAT
AMOL
ADF
-----------------------------------------------------------------------------
What's wrong about the job? Thanks.
Regards,
WangBw
---- S243, Chemistry Building Chemistry Department, Peking University Bejing, China TEL: 86-10-62765703Received on 2005-01-27 15:28:32
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