Hi Ross,
I was wondering if you have had some time to think about what might be actually happening in the QMMM test failures I have had with the sander.MPI module of AMBER10. Any suggestions would be welcome.
My best regards,
jenk
--- On Thu, 5/22/08, Ross Walker <ross.rosswalker.co.uk> wrote:
> From: Ross Walker <ross.rosswalker.co.uk>
> Subject: RE: Fw: RE: AMBER: MKL libraries/Amber10
> To: amber.scripps.edu
> Date: Thursday, May 22, 2008, 5:40 PM
> Hi Cenk,
>
> Can you possibly try something for me.
>
> Can you run the parallel test cases on both one of the
> nodes in parallel and
> on the login node in parallel (if it will let you).
> Specifically I want to
> find out if the problem is processor specific. I only have
> access to Intel
> chips at the moment and everything works fine. It is
> possible that MKL's
> dspev crashes on AMD chips (I wouldn't put it past
> Intel ;-)).
>
> Thus I am guessing that this may be a problem specific to
> AMD chips. I'll
> try and get on Ranger to try this myself but it has been
> down for the last
> few days.
>
> All the best
> Ross
>
>
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Received on Sun Jun 01 2008 - 06:07:43 PDT
