[gmx-users] Precision question...

Stéphane Teletchéa steletch at jouy.inra.fr
Thu Dec 8 13:13:17 CET 2005

I can compile gromacs either in single or double precisions, and 
according to the manual, using single precision is sufficient for 
simulations. Is there any gromacs-related paper about this ?

If i used 32-bit systems and 64-bits systems, is it correct to say :

single precision 32-bits = real single precision
double precision 32-bits = single precision 64-bits
double precision 64-bits = 4 * real single precision

I mean : is the statement correct (in theory) and are all routines 
taking this precision into account ?

Thank you in advance for your 'precisions' :-)

Stéphane Téletchéa, PhD.                  http://www.steletch.org
Unité Mathématique Informatique et Génome http://migale.jouy.inra.fr/mig
INRA, Domaine de Vilvert                  Tél : (33) 134 652 121 / 3086
78352 Jouy-en-Josas cedex, France         Fax : (33) 134 652 901

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