LINCS errors or segfaults in 2DPME-merged gromacs with threads
Created an attachment (id=452)
tpr to provoke error
I'm getting LINCS errors or segfaults in git-current Gromacs when I run multiple threads but not when I use -nt 1. I'm attaching a tpr; I get this somewhat stochastically but typically in the first 200 steps.
The build system for this was merlot (OS/X 10.6.3; autoconf + gcc + fftw3).
PS I have an April 9 double-precision build that runs this tpr fine with multiple threads.