[CPMD-list] CPMD at Cray XT4

Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu
Fri Mar 7 04:01:13 CET 2008


On Thu, Mar 6, 2008 at 9:42 PM, Alexandr Isayev <alex at ccmsi.us> wrote:
> Hi Axel !

hi alex,

>  AK> do you get the segfault on the frontend or
>  AK> when running on the compute nodes?
>  From computing nodes.
>
>  AK> Kernel is still catamount
>  As I understand browsing different Cray's docs, all (both
>  computing and login) XT4 nodes are the same and
>  CNL is different from catamount...

in case CNL is different from catamount (i have to
wonder why somebody would want to do this since
catamount is the secret of the good scaling) then
you should not use the XT3 config,  but a regular
linux AMD64 config.

the xt3 config enables a couple of hacks that only
make sense on catamount.

cheers,
   axel.

>  AK>you can
>  AK>also leave away the target flag and then it should
>  AK>just give you warning (and i bet it says "catamount is used"
>  AK>or something similar) and do the right thing.
>
>  Anyway, initially I made catamount binary using plain CRAY-XT3 config
>  file. It's also not working :( I will re-do right now, to make sure...
>
>  Thanks for the prompt reply,
>
>
> Alexandr
>
>
>
>  -------------------------------------------------------
>  Alexandr Isayev,
>  Graduate Research Assistant, and System Administrator
>  @ Computational Center for Molecular Structure
>  and Interactions (CCMSI),
>  Jackson State University,
>  Jackson, MS USA
>    Tel:  +(601) 979-1134
>  e-mail:  alex(at)ccmsi.us
>    Web:  http://www.ccmsi.us/alex
>  --------------------------------------------------------
>
>
>



-- 
=======================================================================
Axel Kohlmeyer   akohlmey at cmm.chem.upenn.edu   http://www.cmm.upenn.edu
  Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
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