Code: Select all
[09:29:43] Completed 115000 out of 250000 steps (46%)
[09:34:52] Completed 117500 out of 250000 steps (47%)
Step 11618403, time 23236.8 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 1.936593, max 59.256210 (between atoms 7110 and 7111)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
7110 7111 90.0 0.1011 6.0859 0.1010
7110 7113 90.0 0.1010 0.1219 0.1010
Step 11618403, time 23236.8 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.599439, max 59.256210 (between atoms 7110 and 7111)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
7110 7111 90.0 0.1011 6.0859 0.1010
7110 7113 90.0 0.1010 0.1219 0.1010
Warning: 1-4 interaction between 7101 and 7108 at distance 5.897 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
Warning: 1-4 interaction between 7104 and 7111 at distance 6.316 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
Step 11618404, time 23236.8 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 2.190332, max 92.347954 (between atoms 7110 and 7111)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
7110 7113 90.0 0.1219 0.2048 0.1010
Step 11618404, time 23236.8 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.934261, max 92.347954 (between atoms 7110 and 7111)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
7110 7113 90.0 0.1219 0.2048 0.1010
Step 11618405, time 23236.8 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 63956288.682674, max 1512437504.000000 (between atoms 7107 and 7108)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
7094 7095 90.0 0.1010 124192296.0000 0.1010
7096 7097 90.0 0.1090 2.6013 0.1090
7104 7105 90.0 0.1090 10379427.0000 0.1090
7104 7106 90.0 0.1090 714860.6250 0.1090
7107 7108 90.0 4.7958 164855696.0000 0.1090
7107 7109 90.0 0.4630 129560832.0000 0.1090
7110 7112 90.0 0.1487 0.2786 0.1010
Step 11618405, time 23236.8 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.564684, max 55.778934 (between atoms 7110 and 7111)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
7110 7112 90.0 0.1487 0.2786 0.1010
[09:36:44]
[09:36:44] Folding@home Core Shutdown: INTERRUPTED
[cli_0]: aborting job:
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 Segmentation fault
[0]3:Return code = 0, signaled with Segmentation fault
[09:36:49] CoreStatus = 66 (102)
[09:36:49] + Shutdown requested by user. Exiting.***** Got a SIGTERM signal (15)
[09:36:49] Killing all core threads
Folding@Home Client Shutdown.
[jim@localhost fold]$