[gmx-developers] Re: Parralel Gromacs

[David van der Spoel]

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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