[gmx-developers] g_desort

Chris Neale chris.neale at utoronto.ca
Sun Jul 8 03:35:14 CEST 2007

While logged in, From this site:

Error uploading. - File type "tar.bz" not permitted

I also get similar messages for .tar .tar.gz and .c files

David van der Spoel wrote:
> chris.neale at utoronto.ca wrote:
>> I now have a well tested desorting program + methodology. It means 
>> that I can scale to 100% on 4cpus and I have been using -shuffle 
>> -sort for all my parallel runs for many months now. Basically it is 
>> the same one that I posted to the users list a while ago. Is it 
>> useful for me to develop good comments for g_desort and upload to 
>> users contributions so that it can go into a future gromacs release 
>> or is this all going to be useless in gromacs4?
> as a matter of fact, yes it wil be. sorting is inherent in domain 
> decomposition, but Berk has also implemented in on single processors 
> with significant speedup. Of course the output files are now in the 
> same order as the input file, so there will not be any need for 
> desorting. That said, it could still be useful for 3.3 users.
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