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Re: [ESPResSo-users] hermit


From: Axel Arnold
Subject: Re: [ESPResSo-users] hermit
Date: Tue, 13 Mar 2012 15:32:58 +0100
User-agent: KMail/1.13.5 (Linux/2.6.34.10-0.6-desktop; KDE/4.4.4; x86_64; ; )

On Monday 12 March 2012 17:42:42 Jiajia Zhou wrote:
> Dear Espresso Users,
> 
> Sorry for the spam. This email is intended for the users of HLRS Stuttgart.
> 
> Did anyone successfully compile Espresso on the new Cray XE6 (Hermit)
> machine?

Hi,

yes, a guest of our institute used it when it was still experimemtal. Espresso 
compiles with the standard settings (Cray parallel compiler, but I forgot its 
name). However, you need to active at least one short range interaction and 
ELECTROSTATICS, otherwise this results in empty structs which the Cray 
compiler does not allow.

Many regards,
Axel

-- 
JP Dr. Axel Arnold
ICP, Universit├Ąt Stuttgart
Pfaffenwaldring 27
70569 Stuttgart, Germany
Email: address@hidden
Tel: +49 711 685 67609



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