Dear adf-users,
I am having optimization problems (internal coords) with adf2K. Some
geometries never converge (40 cycles still a huge grad). The same input,
if I run adf2.3, converges after more or less 10 steps.
Since we recently setup a small beowulf-cluster, I would be really glad to
run adf/pvm on top of it. However, I don't have an adf2.3/pvm linux/intel
executable. SCM says that they don't have it anymore.
So, I wonder if any of you has such a combo, and if he/her would be glad
to share this executable with me.
Thanks in advance,
Luigi
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| Dr. Luigi Cavallo Department of Chemistry |
| Ph: ++39-81-674448 University of Naples |
| Fax: ++39-81-674442 Complesso Monte S.Angelo |
| Email cavallo_at_chemistry.unina.it Via Cintia, I-80126 Napoli, ITALY |
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Received on 2001-04-25 14:01:29
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