[gmx-users] Error: Cannot set thread affinities on the current platform
Neena Susan Eappen
neena.susaneappen at mail.utoronto.ca
Mon Nov 12 01:44:51 CET 2018
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,
Jockusch Lab<http://www.chem.utoronto.ca/wp/jockusch/>, U of T
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