[gmx-users] Possible issues from a precision mismatch.

Diego Alberto Muñoz Gacitua diego.munoz.g at ug.uchile.cl
Thu Jan 4 21:22:32 CET 2018

Greeting gromacs users,

 I've been running some simulations on a local computer running Gromacs
2016.4 compiled with single precision. Recently we've been given access to
HPC resources, but this HPC has the same version of Gromacs installed with
double presicion.

 Are there any issues when continuing a single precision simulation on a
double precision compiled Gromacs? Or should I request a single precision
compilation to be installed in this HPC?


Diego Muñoz G.
Departamento de Química
Laboratorio Fisicoquímica Molecular
Facultad de Ciencias
Universidad de Chile
Tel: 56 9 5137 2029

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