That's just weird. The Cuda API error detected does not sound good -
perhaps it's a sing of a CUDA runtime bug?
Maybe. I don't really have a known good configuration to work from, so
locating the cause of error is a bit of a shot in the dark.
I suggest that you try CUDA 5.0 and see if that
FYI: GROMACS is known to work on IVB-E + K20 hardware, so I'm still leaning
toward thinking that this is either hardware or CUDA software error.
Good to know. If we go ahead with this hardware setup, I might return.
The next thing I'd have suggested is to plug the card into another machine
Does the error happen at step? Assuming the it does occur within the first 10
steps, here are a few things to try:
It happens immediately. As in:
$ time mdrun
snip
real0m3.312s
user0m6.768s
sys 0m1.968s
$
- Run cuda-memcheck mdrun -nsteps 10;
A wild backtrace appeared!
