[gmx-users] mdrun with multiple threads support

David van der Spoel spoel at xray.bmc.uu.se
Thu Dec 20 07:23:00 CET 2007


Mark Abraham wrote:
> Limei Zhang wrote:
>> Hi, there,
>>  
>> I had a problem running mdrun on multiple processors and multiple 
>> threads.
> 
> Thread support will not be available until GROMACS 4.0

Make that 5.0

But it will be a lot faster in 4.0 already.

> 
> Mark
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the www 
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php


-- 
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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++



More information about the gromacs.org_gmx-users mailing list