[gmx-users] Re: Gromacs 4.6 Installation under Cygwin
mirco.wahab at chemie.tu-freiberg.de
Tue Feb 26 10:48:12 CET 2013
On 25.02.2013 17:25, toma0052 at umn.edu wrote:
> Estimated maximum distance required for P-LINCS: 0.810 nm
> Domain decomposition grid 4 x 2 x 1, separate PME nodes 0
Do your runs use PME and/or P-LINCS?
Maybe you could point out the problem by disabling
each or both in yout .mdp file?
I tested some systems (without PME) on cygwin/gmx
4.6 that worked ok. Probably glitches with the
Maybe you could try to compile fftwf 3.3.3
in single precision from source and link it to
your gromacs build.
More information about the gromacs.org_gmx-users