[gmx-developers] re: gromacs from git threads and md-vv
mrshirts at gmail.com
Wed Feb 3 21:42:53 CET 2010
Thanks for testing this! I just posted a fix for one bug -- if that
doesn't fix it, please send input files (and exact configuration
options) to me (not the list) so I can check it out.
Alexey Shvetsov alexxyum at gmail.com
Wed Feb 3 19:39:23 CET 2010
I compiled gromacs from git with threads enabled (instead of mpi).
while testing i get deadlock on speptide system while using md-vv integrator.
with almoust same parameters but with standart leapfrog (md) integrator same
system works fine.
PS all compiled with debug so i can provide backtarces and all needed input
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru
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