Oh, very good find Ross; I have not had the experience of mixing these, but
I bet you are right! - Bob
----- Original Message -----
From: "Ross Walker" <ross.rosswalker.co.uk>
To: "'AMBER Mailing List'" <amber.ambermd.org>
Sent: Wednesday, May 06, 2009 5:53 PM
Subject: RE: [AMBER] Error in PMEMD run
> Hi Marek,
>
>> here is the content of the LD_LIBRARY_PATH variable:
>>
>> LD_LIBRARY_PATH=/opt/intel/impi/3.1/lib64:/opt/intel/mkl/10.0.011/lib/e
>> m64t:/opt
>> /intel/cce/9.1.043/lib:/opt/intel/fce/10.1.012/lib::/opt/intel/impi/3.1
>> /lib64
>
> I suspect this is the origin of your problems... You have cce v9.1.043
> defined and fce v10.1.012 defined. I bet these are not compatible. Note
> there is a libsvml.so in /intel/cce/9.1.043/lib/ and this comes first in
> your LD path so will get picked up before the Fortran one. This is
> probably
> leading to all sorts of problems.
>
> My advice would be to remove the old cce library spec from the path so it
> picks up the correct libsvml. Or upgrade your cce to match the fce
> compiler
> version - this should probably always be done and I am surprised Intel let
> you have mixed versions this way but alas..... <sigh>
>
> All the best
> Ross
>
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | PGP Key available on request |
>
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Received on Wed May 20 2009 - 14:57:48 PDT
