[gmx-developers] Re: Parralel Gromacs

[N.Goga]

Dear David,

  Thank you for your answer. Do you have the e-mail 
address of Berk Hess?

  Thank you in advance for your answer.

  Best regards
   Nicu

On Thu, 20 Apr 2006 13:12:17 +0200
  David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> N.Goga wrote:
>> 
>>> Hi everybody,
>>>
>>>  First let me introduce myself. My name is Nicu Goga and 
>>>I am 
>>> currentely working at the Univeristy of Groningen, 
>>>Biomolecular group 
>>> as a Gromacs developer. I am quite new into this field. 
>>>I have some 
>>> questions related to Gromacs. Can anyone help me with 
>>>these questions? 
>>> I thank you in advance.
>>>
>>> 1) Is anyone working still on a paralel version of 
>>>Gromacs?
>>> If yes, please tell me, maybe we can join the efforts.
>>>
>>> 2) Which things do you think that can be still improved 
>>>regarding 
>>> parallel Gromacs.
>>>
>>> 3) I installed the last version of Gromacs found on the 
>>>webpage 
>>> (version 3.3.1). Whice are the source files in C (where 
>>>I can have a 
>>> look) where the paralel version of Gromacs is 
>>>implemented.
>>>
> You want to look at the latest CVS version. Berk Hess 
>has already implemented most of the details necessary for 
>efficient parallellization on many processors using 
>domain decomposition.
> 
> 
> 
>>>  I thank you in advance for your answers.
>>>
>>>  Best regards
>>>   Nicu
>> 
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> 
> 
> -- 
> David.
> ________________________________________________________________________
> David van der Spoel, PhD, Assoc. Prof., Molecular 
>Biophysics group,
> Dept. of Cell and Molecular Biology, Uppsala University.
> Husargatan 3, Box 596,  	75124 Uppsala, Sweden
> phone:	46 18 471 4205		fax: 46 18 511 755
> spoel at xray.bmc.uu.se	spoel at gromacs.org 
>  http://folding.bmc.uu.se
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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