Dear amber users,
I have installed Amber10 in our cluster some time ago. Now I started
with some calculations and I have problem with PMEMD.
When I try to switch (after minimisation, heating and density equilibrium
phases) from SANDER
to PMEMD, my calculation is broken starting with this error line:
"symbol lookup error: /opt/amber/exe/pmemd: undefined symbol: __svml_cos2"
Without switching to PMEMD everything is OK, it means SANDER works
perfectly but since
I am working on big systems (hundreds thousands of atoms ) typically 32-64
CPUs jobs,
I would like to use PMEMD for my equil/production runs.
I would be grateful for any useful info.
With the best wishes
Marek
--
Tato zpráva byla vytvořena převratným poštovním klientem Opery:
http://www.opera.com/mail/
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Received on Wed May 20 2009 - 14:37:11 PDT
