[gmx-users] Gromacs 4.6?

Matthew Lardy mlardy at gmail.com
Tue Sep 6 20:38:42 CEST 2011


I am wondering when Gromacs will support OpenMM 3+ and my GPU
architecture (S2050C Teslas)?  I have been patiently waiting, and
still haven't seen a new version (and yes, I have pulled back a
development version from git).  Still getting this nonsensical error
from OpenMM2 and while OpenMM3 compiles I obviously get NaN's
everywhere on the S2050C's since it is inappropriate to link them

Am I doomed to use Amber forever?  :)

[Sorry, I just love Gromacs and have been waiting for four months for
an update that would allow me to execute it on my rackmounted tesla

Thanks in advance,

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