[gmx-users] Error: Cannot set thread affinities on the current platform

[Neena Susan Eappen]

Hello GROMACS users,


I am running GROMACS version 5.1.1 on windows using cygwin (latest version).After the following command: gmx mdrun -deffnm nvt

Error message: Compiled SIMD instructions: SSE4.1, GROMACS could use AVX2_256 on this machine, which is better

Reading file nvt.tpr, VERSION 5.1.1 (single precision)
Changing nstlist from 10 to 20, rlist from 1 to 1.029

Using 1 MPI thread
Using 4 OpenMP threads

NOTE: Cannot set thread affinities on the current platform.
starting mdrun 'Protein in water'
50000 steps,    100.0 ps.

Could there be anything incompatible between Cygwin and Gromacs here? Any insight would be appreciated, Many thanks,


Neena Eappen
Graduate Student
Jockusch Lab<http://www.chem.utoronto.ca/wp/jockusch/>, U of T