What should I do about this error message? It is still folding, judging by the CPU it is using. Reading file work/wudata_04.tpr, VERSION 4.5.1-dev-20100930-afd66-dirty (single precision) [15:26:58] Mapping NT from 4 to 4 Starting 4 threads Making 1D domain decomposition 1 x 4 x 1 starting mdrun 'GROtesk MACabre and Sinister in water' 195000000 steps, 390000.0 ps (continuing from step 194500000, 389000.0 ps). [15:27:00] Completed 0 out of 500000 steps (0%) NOTE: Turning on dynamic load balancing Warning: 1-4 interaction between 22326 and 59427 at distance 2.855 which is larger than the 1-4 table size 2.200 nm These are ignored for the rest of the simulation This usually means your system is exploding, if not, you should increase table-extension in your mdp file or with user tables increase the table size
If the WU falls over because the simulation cannot continue on the trajectory, it would normally stop and send the results back, before then downloading a new WU. Just keep an eye on it - if it doesn't progress over time, then stop the client, delete the WU, and restart the client.
