[gmx-users] Single or Double precision?
pall.szilard at gmail.com
Wed Mar 12 09:44:57 CET 2014
Check the version header, it contain a "Precision" field (e.g. mdrun -version).
On Wed, Mar 12, 2014 at 9:03 AM, Dario Corrada <dario.corrada at gmail.com> wrote:
> How I can check if a packaged version of GROMACS (such as those available
> from Fedora or Ubuntu repositories) has been pre-compiled with single or
> double precision?
> Dario CORRADA, PhD
> Bioinformatics and Computational Chemistry specialist
> URL......: http://it.linkedin.com/in/dariocorrada/
> mail.....: dario.corrada at gmail.com
> skype....: dario.corrada
> tel......: +39 333 5347024
> address..: via Benvenuto Cellini, 4 - 20900 Monza IT
> "When you have eliminated the impossible, whatever remains, however
> improbable, must be the truth."
> [A.C. Doyle]
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