AMBER Archive (2009)

Subject: [AMBER] Error in PMEMD run

From: Marek Malý (maly_at_sci.ujep.cz)
Date: Mon May 04 2009 - 20:23:33 CDT

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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