[gmx-users] what's the differences between double precise version and single precise?

Justin A. Lemkul jalemkul at vt.edu
Fri Mar 26 11:34:59 CET 2010

DreamCatcher wrote:
> Hello everyone,
>      I am wondering about the differences between the two precises 
> version.Can somebody give me some advice about that under what condition 
> should I take the double precise version and when to choose the other 
> one? What's the big differences between them? Can I try to install two 
> different versions on the same computer? Will this operation make any 
> big bugs? Then how to fix them?


You can install two versions on the same machine without any problem, just make 
sure to use, for example --program-suffix=_d when compiling double precision to 
avoid overwriting single-precision executables.  For the vast majority of cases, 
single precision suffices.


>       Thanks in advance!
>   celeste
>   20100326


Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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