[gmx-developers] compiling parallel on amd64

Erik Lindahl lindahl at sbc.su.se
Thu Nov 17 12:53:33 CET 2005

> thanks for that - version - 3.2.1 - I downloaded it a while ago and  
> compile in sequential mode - didn't realise there was a new version.
> I will get that and try with gcc.

You definitely want to upgrade to 3.3 for AMD64 since that release  
contains native 64-bit SSE and SSE2 assembly loops.

The assembly loops also mean the compiler is entirely bypassed for  
the most performance-sensitive parts of the code, so gcc will be at  
least as fast as pgi.



Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214

More information about the gromacs.org_gmx-developers mailing list