Hello,

I am doing some geometry optimizations on a cluster of CeO2 with ADF 2002.02.

I am working on a cluster that contains about 147 atoms and NO SYMMETRY contstraint.

Unfortunately, during the optimiztion procedure I found an error message. This is the message

that the program wrote before stopping:

<Oct18-2003> <03:50:56> SCF converged
<Oct18-2003> <04:34:18> 133 ErrMat 0.00371733 MaxEl -0.00094752
<Oct18-2003> <04:44:11> >>>> TOTEN
<Oct18-2003> <12:19:28> CIO_ERROR cio_llwrite: lseek failed (TAPE14_0,fd=7,rec=524270)
<Oct18-2003> <12:19:29> WARNING: not all scratch files were closed
<Oct18-2003> <12:19:29> END

these numerical experiments have been carried out on cluster beowulf-intel with a parallel execution.

Does anybody know what the cio_llwrite error means? ... How can I solve
this problem?

Best regards

Chiara Maccato

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dr. Chiara Maccato
Dipartimento di Chimica Inorganica,
Metallorganica ed Analitica (C.I.M.A.)
Università degli Studi di Padova
via Loredan, 4 -35131 Padova- Italy
tel. ++39049-8275234
fax ++39049-8275161
e-mail: chiara.maccato_at_unipd.it
           maccato_at_chin.unipd.it
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Received on 2003-10-27 14:52:10