full console output:
Code: Select all
[13:18:45] - Preparing to get new work unit...
[13:18:45] + Attempting to get work packet
[13:18:45] - Connecting to assignment server
[13:18:46] - Successful: assigned to (171.64.65.56).
[13:18:46] + News From Folding@Home: Welcome to Folding@Home
[13:18:46] Loaded queue successfully.
[13:19:03] + Closed connections
[13:19:03]
[13:19:03] + Processing work unit
[13:19:03] Core required: FahCore_a2.exe
[13:19:03] Core found.
[13:19:03] Working on queue slot 04 [February 4 13:19:03 UTC]
[13:19:03] + Working ...
[13:19:03]
[13:19:03] *------------------------------*
[13:19:03] Folding@Home Gromacs SMP Core
[13:19:03] Version 2.02 (Wed Aug 27 13:11:25 PDT 2008)
[13:19:03]
[13:19:03] Preparing to commence simulation
[13:19:03] - Ensuring status. Please wait.
[13:19:04] Called DecompressByteArray: compressed_data_size=4830853 data_size=23977801, decompressed_data_size=23977801 diff=0
[13:19:04] - Digital signature verified
[13:19:04]
[13:19:04] Project: 2669 (Run 7, Clone 46, Gen 70)
[13:19:04]
[13:19:04] Assembly optimizations on if available.
[13:19:04] Entering M.D.
[13:19:13] (Run 7, Clone 46, Gen 70)
[13:19:13]
[13:19:14] Entering M.D.
NNODES=4, MYRANK=1, HOSTNAME=computenode
NNODES=4, MYRANK=0, HOSTNAME=computenode
NNODES=4, MYRANK=2, HOSTNAME=computenode
NNODES=4, MYRANK=3, HOSTNAME=computenode
NODEID=0 argc=19
NODEID=1 argc=19
:-) G R O M A C S (-:
Groningen Machine for Chemical Simulation
:-) VERSION 3.3.99_development_200800503 (-:
Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2008, The GROMACS development team,
check out http://www.gromacs.org for more information.
:-) mdrun (-:
Reading file work/wudata_04.tpr, VERSION 3.3.99_development_20070618 (single precision)
NODEID=2 argc=19
NODEID=3 argc=19
Note: tpx file_version 48, software version 56
Making 1D domain decomposition 1 x 1 x 4
starting mdrun '22869 system'
250000 steps, 500.0 ps.
Writing checkpoint, step 17504430 at Wed Feb 4 08:34:23 2009
[13:36:21] Completed 5008 out of 250000 steps (2%)
[13:44:49] Completed 7508 out of 250000 steps (3%)
Writing checkpoint, step 17508840 at Wed Feb 4 08:49:22 2009
[13:53:21] Completed 10008 out of 250000 steps (4%)
[14:01:53] Completed 12508 out of 250000 steps (5%)
Writing checkpoint, step 17513230 at Wed Feb 4 09:04:21 2009
[14:10:27] Completed 15008 out of 250000 steps (6%)
[14:19:01] Completed 17508 out of 250000 steps (7%)
Writing checkpoint, step 17517610 at Wed Feb 4 09:19:21 2009
[14:27:34] Completed 20008 out of 250000 steps (8%)
Writing checkpoint, step 17522010 at Wed Feb 4 09:34:22 2009
[14:36:04] Completed 22508 out of 250000 steps (9%)
[14:44:36] Completed 25008 out of 250000 steps (10%)
Writing checkpoint, step 17526410 at Wed Feb 4 09:49:22 2009
[14:53:08] Completed 27508 out of 250000 steps (11%)
[15:01:41] Completed 30008 out of 250000 steps (12%)
Writing checkpoint, step 17530800 at Wed Feb 4 10:04:23 2009
[15:10:14] Completed 32508 out of 250000 steps (13%)
[15:18:46] Completed 35008 out of 250000 steps (14%)
Writing checkpoint, step 17535180 at Wed Feb 4 10:19:21 2009
[15:27:18] Completed 37508 out of 250000 steps (15%)
Writing checkpoint, step 17539580 at Wed Feb 4 10:34:22 2009
[15:35:50] Completed 40008 out of 250000 steps (16%)
[15:44:22] Completed 42508 out of 250000 steps (17%)
Writing checkpoint, step 17543980 at Wed Feb 4 10:49:23 2009
[15:52:53] Completed 45008 out of 250000 steps (18%)
[16:01:24] Completed 47508 out of 250000 steps (19%)
Writing checkpoint, step 17548380 at Wed Feb 4 11:04:22 2009
[16:09:55] Completed 50008 out of 250000 steps (20%)
[16:18:26] Completed 52508 out of 250000 steps (21%)
Writing checkpoint, step 17552780 at Wed Feb 4 11:19:22 2009
[16:26:59] Completed 55008 out of 250000 steps (22%)
Writing checkpoint, step 17557180 at Wed Feb 4 11:34:23 2009
[16:35:30] Completed 57508 out of 250000 steps (23%)
[16:44:05] Completed 60008 out of 250000 steps (24%)
Writing checkpoint, step 17561550 at Wed Feb 4 11:49:22 2009
[16:52:40] Completed 62508 out of 250000 steps (25%)
[17:01:16] Completed 65008 out of 250000 steps (26%)
Writing checkpoint, step 17565920 at Wed Feb 4 12:04:22 2009
[17:09:48] Completed 67508 out of 250000 steps (27%)
[17:18:21] Completed 70008 out of 250000 steps (28%)
Writing checkpoint, step 17570310 at Wed Feb 4 12:19:23 2009
[17:26:53] Completed 72508 out of 250000 steps (29%)
Writing checkpoint, step 17574700 at Wed Feb 4 12:34:22 2009
[17:35:26] Completed 75008 out of 250000 steps (30%)
[17:43:56] Completed 77508 out of 250000 steps (31%)
Writing checkpoint, step 17579110 at Wed Feb 4 12:49:23 2009
[17:52:27] Completed 80008 out of 250000 steps (32%)
[18:00:58] Completed 82508 out of 250000 steps (33%)
Writing checkpoint, step 17583510 at Wed Feb 4 13:04:22 2009
[18:09:29] Completed 85008 out of 250000 steps (34%)
[18:17:59] Completed 87508 out of 250000 steps (35%)
Writing checkpoint, step 17587910 at Wed Feb 4 13:19:21 2009
[18:26:31] Completed 90008 out of 250000 steps (36%)
Writing checkpoint, step 17592310 at Wed Feb 4 13:34:21 2009
[18:35:02] Completed 92508 out of 250000 steps (37%)
[18:43:34] Completed 95008 out of 250000 steps (38%)
Writing checkpoint, step 17596710 at Wed Feb 4 13:49:23 2009
[18:52:06] Completed 97508 out of 250000 steps (39%)
[19:00:38] Completed 100008 out of 250000 steps (40%)
Writing checkpoint, step 17601100 at Wed Feb 4 14:04:22 2009
[19:09:11] Completed 102508 out of 250000 steps (41%)
[19:17:44] Completed 105008 out of 250000 steps (42%)
Writing checkpoint, step 17605480 at Wed Feb 4 14:19:21 2009
[19:26:18] Completed 107508 out of 250000 steps (43%)
Writing checkpoint, step 17609870 at Wed Feb 4 14:34:22 2009
[19:34:51] Completed 110008 out of 250000 steps (44%)
[19:43:25] Completed 112508 out of 250000 steps (45%)
Writing checkpoint, step 17614240 at Wed Feb 4 14:49:21 2009
[19:52:00] Completed 115008 out of 250000 steps (46%)
[20:00:36] Completed 117508 out of 250000 steps (47%)
Writing checkpoint, step 17618610 at Wed Feb 4 15:04:22 2009
[20:09:11] Completed 120008 out of 250000 steps (48%)
[20:17:46] Completed 122508 out of 250000 steps (49%)
Writing checkpoint, step 17622970 at Wed Feb 4 15:19:21 2009
[20:26:22] Completed 125008 out of 250000 steps (50%)
Writing checkpoint, step 17627340 at Wed Feb 4 15:34:21 2009
[20:34:56] Completed 127508 out of 250000 steps (51%)
[20:43:30] Completed 130008 out of 250000 steps (52%)
Writing checkpoint, step 17631720 at Wed Feb 4 15:49:21 2009
Warning: 1-4 interaction between 4431 and 81172 at distance 3.686 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
A list of missing interactions:
LJ-14 of 60837 missing -2
-------------------------------------------------------
Program mdrun, VERSION 3.3.99_development_200800503
Source code file: domdec_top.c, line: 87
Software inconsistency error:
Some interactions seem to be assigned multiple times
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
Error on node 1, will try to stop all the nodes
Halting parallel program mdrun on CPU 1 out of 4
gcq#0: Thanx for Using GROMACS - Have a Nice Day
[cli_1]: aborting job:
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 1
[cli_0]: aborting job:
Fatal error in MPI_Allreduce: Error message texts are not available
[cli_2]: aborting job:
Fatal error in MPI_Allreduce: Error message texts are not available
[cli_3]: aborting job:
Fatal error in MPI_Allreduce: Error message texts are not available
[20:51:21] CoreStatus = FF (255)
[20:51:21] Sending work to server
[20:51:21] Project: 2669 (Run 7, Clone 46, Gen 70)
[20:51:21] - Error: Could not get length of results file work/wuresults_04.dat
[20:51:21] - Error: Could not read unit 04 file. Removing from queue.
[20:51:21] - Preparing to get new work unit...
[20:51:21] + Attempting to get work packet
[20:51:21] - Connecting to assignment server
[20:51:22] - Successful: assigned to (171.67.108.24).
[20:51:22] + News From Folding@Home: Welcome to Folding@Home
[20:51:22] Loaded queue successfully.
[20:51:23] + Could not connect to Work Server
[20:51:23] - Attempt #1 to get work failed, and no other work to do.
Waiting before retry.
[20:51:31] + Attempting to get work packet
[20:51:31] - Connecting to assignment server
[20:51:32] - Successful: assigned to (171.67.108.24).
[20:51:32] + News From Folding@Home: Welcome to Folding@Home
[20:51:32] Loaded queue successfully.
[20:51:50] + Closed connections
[20:51:55]
[20:51:55] + Processing work unit
[20:51:55] Core required: FahCore_a2.exe
[20:51:55] Core found.
[20:51:55] Working on queue slot 05 [February 4 20:51:55 UTC]
[20:51:55] + Working ...
[20:51:55]
[20:51:55] *------------------------------*
[20:51:55] Folding@Home Gromacs SMP Core
[20:51:55] Version 2.02 (Wed Aug 27 13:11:25 PDT 2008)
[20:51:55]
[20:51:55] Preparing to commence simulation
[20:51:55] - Ensuring status. Please wait.
[20:52:05] - Looking at optimizations...
[20:52:05] - Working with standard loops on this execution.
[20:52:05] - Files status OK
[20:52:06] - Expanded 4838203 -> 24030157 (decompressed 496.6 percent)
[20:52:06] Called DecompressByteArray: compressed_data_size=4838203 data_size=24030157, decompressed_data_size=24030157 diff=0
[20:52:06] - Digital signature verified
[20:52:06]
[20:52:06] Project: 2671 (Run 34, Clone 11, Gen 82)
[20:52:06]
[20:52:06] Entering M.D.
NNODES=4, MYRANK=1, HOSTNAME=computenode
NNODES=4, MYRANK=3, HOSTNAME=computenode
NNODES=4, MYRANK=0, HOSTNAME=computenode
NNODES=4, MYRANK=2, HOSTNAME=computenode
NODEID=0 argc=19
NODEID=1 argc=19
:-) G R O M A C S (-:
Groningen Machine for Chemical Simulation
:-) VERSION 3.3.99_development_200800503 (-:
Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2008, The GROMACS development team,
check out http://www.gromacs.org for more information.
:-) mdrun (-:
Reading file work/wudata_05.tpr, VERSION 3.3.99_development_20070618 (single precision)
NODEID=2 argc=19
NODEID=3 argc=19
[20:52:12] Will resume from checkpoint file
Note: tpx file_version 48, software version 56
Making 1D domain decomposition 1 x 1 x 4
starting mdrun '22908 system in water'
250000 steps, 500.0 ps.
-------------------------------------------------------
Program mdrun, VERSION 3.3.99_development_200800503
Source code file: md.c, line: 933
Fatal error:
Checkpoint error on step 15525010
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
Error on node 0, will try to stop all the nodes
Halting parallel program mdrun on CPU 0 out of 4
gcq#0: Thanx for Using GROMACS - Have a Nice Day
[cli_0]: aborting job:
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 0
[20:52:14] Resuming from checkpoint
[20:52:14] fcSaveRestoreState: I/O failed dir=0, var=00002AAAAC037010, varsize=568788
[cli_1]: aborting job:
Fatal error in MPI_Sendrecv: Error message texts are not available