[gmx-users] RPM and double precision

Berk Hess gmx3 at hotmail.com
Tue Feb 3 18:35:04 CET 2009


Hi,

The rpm's are only in single precision, because for nearly all purposes that suffices
(some precision critical parts of the code are always in double precision).
Are you sure your require double precision?
If  so, you will need to compile Gromacs yourself.

Berk

> From: Richard.Casey at ColoState.EDU
> To: gmx-users at gromacs.org
> Date: Tue, 3 Feb 2009 10:24:39 -0700
> Subject: [gmx-users] RPM and double precision
> 
> Hello,
> 
> We have installed GROMACS 3.3.3 using rpm.  Apparently the default installation is single precision.  We would like to use double precision.  How do you run rpm again such that it installs the double precision version of GROMACS?  Not sure what the rpm syntax would be to do this.
> 
> 
> --------------------------------------------
> Richard
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