NOTE: The tpr file used for this simulation is in an old format, for less memory usage and possibly more performance create a new tpr file with an up to date version of grompp
Making 1D domain decomposition 1 x 1 x 4
starting mdrun '22878 system in water'
30250000 steps, 60500.0 ps (continuing from step 30000000, 60000.0 ps).
t = 60000.003 ps: Water molecule starting at atom 65638 can not be settled.
Check for bad contacts and/or reduce the timestep.
t = 60000.005 ps: Water molecule starting at atom 127297 can not be settled.
Check for bad contacts and/or reduce the timestep.
t = 60000.005 ps: Water molecule starting at atom 42760 can not be settled.
Check for bad contacts and/or reduce the timestep.
[01:30:57] lding@home Core Shutdown: INTERRUPTED
application called MPI_Abort(MPI_COMM_WORLD, 102) - process 0
[0]0:Return code = 102
[0]1:Return code = 0, signaled with Quit
[0]2:Return code = 0, signaled with Quit
[0]3:Return code = 0, signaled with Segmentation fault
[01:31:01] CoreStatus = 66 (102)
[01:31:01] + Shutdown requested by user. Exiting.***** Got a SIGTERM signal (15)
[01:31:01] Killing all core threads
Folding@Home Client Shutdown.
Now downloaded this bad WU 3 times in last 3 days - fails immediately and now having to monitor download on this pc everytime or when I wake up. Happened at 2.00 am today so I lost 6 hours of folding. Please arrange for its removal or correction ASAP.
Many thanks
Shunter
Making 1D domain decomposition 1 x 1 x 4
starting mdrun '22878 system in water'
30250000 steps, 60500.0 ps (continuing from step 30000000, 60000.0 ps).
t = 60000.003 ps: Water molecule starting at atom 65638 can not be settled.
Check for bad contacts and/or reduce the timestep.
t = 60000.005 ps: Water molecule starting at atom 42760 can not be settled.
Check for bad contacts and/or reduce the timestep.
t = 60000.005 ps: Water molecule starting at atom 127297 can not be settled.
Check for bad contacts and/or reduce the timestep.
[01:45:07] lding@home Core Shutdown: INTERRUPTED
application called MPI_Abort(MPI_COMM_WORLD, 102) - process 0