General

Profile

Cara Kreck

Issues

Activity

07/08/2013

03:07 PM GROMACS Bug #1299: Strange results on GPU
I'm uploading the log files of the finished no energy groups (neg) and nstcalcenergy=1 (nce1) simulations.
g_vv_nc...
09:20 AM GROMACS Bug #1299: Strange results on GPU
OK, I've run the no energy groups simulation along with a nstcalcenergy=1 (with energy groups) simulation. No energy ...

07/07/2013

02:22 PM GROMACS Bug #1299: Strange results on GPU
I've attached the .tpr without energy groups.
I was running on the single node of a GPU cluster containing two 6-c...

07/06/2013

06:25 PM GROMACS Bug #1299 (Closed): Strange results on GPU
From http://gromacs.5086.x6.nabble.com/Inconsistent-results-between-3-3-3-and-4-6-with-various-set-up-options-tp50095...

11/30/2012

03:34 PM GROMACS Bug #1052: g_hbond -dist -ang outputs
I'm not sure if I somehow accidentally assigned David to this, or if it just happened automatically. I don't know how...
03:25 PM GROMACS Bug #1052 (Closed): g_hbond -dist -ang outputs
There is a significant difference in the length distribution plots (-dist) produced by version 3.3.3 and all of the 4...

Also available in: Atom