[05:44:42] one 57, Gen 127)
Log:
Code: Select all
[05:44:32] Folding@Home Gromacs SMP Core
[05:44:32] Version 2.10 (Sun Aug 30 03:43:28 CEST 2009)
[05:44:32]
[05:44:32] Preparing to commence simulation
[05:44:32] - Ensuring status. Please wait.
[05:44:32] Firking with standard loops on this execution.
[05:44:32] - Files status OK
[05:44:32] - Expanded Called DecompressByteArray: compressed_data_size=Called DecompressByteArray: compressed_data_size=4838954 data_size=24038325, decompressed_data_size=24038325 diff=0
[05:44:33] - Digital signature veriAssembly optimizations on if available.
[05:44:33] Entering Entering M.D.
[05:44:42] one 57, Gen 127)
[05:44:42]
[05:44:42] Entering M.D.
[05:44:50] (0%)
[05:48:50] Completed 2500 out of 250000 steps (1%)
.
[09:43:55] Completed 150000 out of 250000 steps (60%)
[09:44:20] CoreStatus = FF (255)
[09:44:20] Client-core communications error: ERROR 0xff
[09:44:20] Deleting current work unit & continuing...
[09:45:02] - Warning: Could not delete all work unit files (4): Core file absent
[09:45:02] Trying to send all finished work units
[09:45:02] + No unsent completed units remaining.Code: Select all
relative constraint deviation after LINCS:
rms 2.218863, max 123.027191 (between atoms 22337 and 22339)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
22337 22338 90.0 0.2712 1.6675 0.1090
22337 22339 90.0 12.8679 13.5190 0.1090
t = 63800.429 ps: Water molecule starting at atom 55141 can not be settled.
Check for bad contacts and/or reduce the timestep.
t = 63800.431 ps: Water molecule starting at atom 73483 can not be settled.
Check for bad contacts and/or reduce the timestep.
Step 31900214, time 63800.4 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms nan, max 1964319703040.000000 (between atoms 22340 and 22341)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
14596 14598 90.0 0.1090 2864688896.0000 0.1090
14596 14599 90.0 0.1090 2583349248.0000 0.1090
22340 22341 90.0 9.9275 198396313600.0000 0.1010
22340 22342 90.0 0.9160 120581144576.0000 0.1010
22340 22343 90.0 1.2288 36606754816.0000 0.1010
-------------------------------------------------------
Program mdrun, VERSION 4.0.99_development_20090605
Source code file: md.c, line: 2169
Fatal error:
NaN detected at step 31900214
For more information and tips for trouble shooting please check the GROMACS Wiki at
http://wiki.gromacs.org/index.php/Errors
-------------------------------------------------------
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
-------------------------------------------------------
Program mdrun, VERSION 4.0.99_development_20090605
Source code file: md.c, line: 2169
Fatal error:
NaN detected at step 31900214
For more information and tips for trouble shooting please check the GROMACS Wiki at
http://wiki.gromacs.org/index.php/Errors
-------------------------------------------------------
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
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 1
-------------------------------------------------------
Program mdrun, VERSION 4.0.99_development_20090605
Source code file: md.c, line: 2169
Fatal error:
NaN detected at step 31900214
For more information and tips for trouble shooting please check the GROMACS Wiki at
http://wiki.gromacs.org/index.php/Errors
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
Error on node 2, will try to stop all the nodes
Halting parallel program mdrun on CPU 2 out of 4
gcq#0: Thanx for Using GROMACS - Have a Nice Day
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 2
-------------------------------------------------------
Program mdrun, VERSION 4.0.99_development_20090605
Source code file: md.c, line: 2169
Fatal error:
NaN detected at step 31900214
For more information and tips for trouble shooting please check the GROMACS Wiki at
http://wiki.gromacs.org/index.php/Errors
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
Error on node 3, will try to stop all the nodes
Halting parallel program mdrun on CPU 3 out of 4
gcq#0: Thanx for Using GROMACS - Have a Nice Day
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 3
gcq#0: Thanx for Using GROMACS - Have a Nice Day
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 0
[09:44:20] CoreStatus = FF (255)
[09:44:20] Client-core communications error: ERROR 0xff
[09:44:20] Deleting current work unit & continuing...
[0]0:Return code = 0, signaled with Quit
[0]1:Return code = 0, signaled with Quit
[0]2:Return code = 0, signaled with Quit