[gmx-developers] benchmark Lys errors?

[Josh Hursey]

> Subject: Re: [gmx-developers] benchmark Lys errors?
> From: David <spoel at xray.bmc.uu.se>
> To: gmx-developers at gromacs.org
> Date: Sat, 27 Mar 2004 23:28:23 +0100
> Reply-To: gmx-developers at gromacs.org
> 
>>There are 7429 total borders
>>Division over nodes in atoms:
>>    1453    1451    1449    1450    1450    1450    1450    1450    1450
>>1450    1450    1452    1452    1449    1452    1449
>>Fatal error: Shake block crossing node boundaries
>>constraint between atoms (1446,1453)
>>
>>
>>Could anyone help me for this question?
> 
> Yes, your protein has now more atoms than what fits on one processor.
> Although it maybe shouldn't crash, you are already way beyond the
> maximum performancewise. More than 4 processors is not worthwhile for
> such small systems...

Is there a rough metric for determing when one has allocated too many processors for a given system?

Josh


> 
>>Thanks in advance!
>>
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