Early unit ends on 4114 units
Posted: Tue Dec 04, 2007 4:31 pm
I only started getting these yesterday in fact I'm only getting sent 41xx units regardless of flags/settings on my Windows system. So far, 2 have already failed with Lincs errors, the first EUE's I've had for a while and the first that either of the 2 machines have had.
[08:32:51] Project: 4114 (Run 6, Clone 12, Gen 2)
[08:32:51]
[08:32:51] Assembly optimizations on if available.
[08:32:51] Entering M.D.
[08:33:12] (Starting from checkpoint)
[08:33:12] Protein: p4114_villinwt_folded_Amber03_Native
[08:33:12]
[08:33:12] Writing local files
[08:33:12] Completed 295729 out of 1500000 steps (20)
[08:33:12] Extra SSE boost OK.
[08:38:50] Writing local files
--------------------------------------------------------------------
[11:36:27] Writing local files
[11:36:27] Completed 435000 out of 1500000 steps (29)
[11:56:12] Writing local files
[11:56:12] Completed 450000 out of 1500000 steps (30)
[12:12:57] Quit 101 - Fatal error:
[12:12:57] Step 462742, time 925.484 (ps) LINCS WARNING
[12:12:57] relative constraint deviation after LINCS:
[12:12:57] max 0.001563 (between atoms 535 and 536) rms 0.000125
[11:42:20] Project: 4114 (Run 55, Clone 16, Gen 0)
[11:42:20]
[11:42:20] Assembly optimizations on if available.
[11:42:20] Entering M.D.
[11:42:26] Protein: p4114_villinwt_folded_Amber03_Native
[11:42:26]
[11:42:26] Writing local files
[11:42:26] Extra SSE boost OK.
[11:42:26] Writing local files
[11:42:26] Completed 0 out of 1500000 steps (0)
[11:51:18] Writing local files
[11:51:18] Completed 15000 out of 1500000 steps (1)
[12:00:20] Writing local files
[12:00:20] Completed 30000 out of 1500000 steps (2)
[12:09:24] Writing local file
---------------------------------------------------------------------
[13:40:08] Completed 195000 out of 1500000 steps (13)
[13:49:13] Writing local files
[13:49:13] Completed 210000 out of 1500000 steps (14)
[13:53:33] Quit 101 - Fatal error:
[13:53:33] Step 217186, time 434.372 (ps) LINCS WARNING
[13:53:33] relative constraint deviation after LINCS:
[13:53:33] max 0.001475 (between atoms 535 and 536) rms 0.000113
Pete
[08:32:51] Project: 4114 (Run 6, Clone 12, Gen 2)
[08:32:51]
[08:32:51] Assembly optimizations on if available.
[08:32:51] Entering M.D.
[08:33:12] (Starting from checkpoint)
[08:33:12] Protein: p4114_villinwt_folded_Amber03_Native
[08:33:12]
[08:33:12] Writing local files
[08:33:12] Completed 295729 out of 1500000 steps (20)
[08:33:12] Extra SSE boost OK.
[08:38:50] Writing local files
--------------------------------------------------------------------
[11:36:27] Writing local files
[11:36:27] Completed 435000 out of 1500000 steps (29)
[11:56:12] Writing local files
[11:56:12] Completed 450000 out of 1500000 steps (30)
[12:12:57] Quit 101 - Fatal error:
[12:12:57] Step 462742, time 925.484 (ps) LINCS WARNING
[12:12:57] relative constraint deviation after LINCS:
[12:12:57] max 0.001563 (between atoms 535 and 536) rms 0.000125
[11:42:20] Project: 4114 (Run 55, Clone 16, Gen 0)
[11:42:20]
[11:42:20] Assembly optimizations on if available.
[11:42:20] Entering M.D.
[11:42:26] Protein: p4114_villinwt_folded_Amber03_Native
[11:42:26]
[11:42:26] Writing local files
[11:42:26] Extra SSE boost OK.
[11:42:26] Writing local files
[11:42:26] Completed 0 out of 1500000 steps (0)
[11:51:18] Writing local files
[11:51:18] Completed 15000 out of 1500000 steps (1)
[12:00:20] Writing local files
[12:00:20] Completed 30000 out of 1500000 steps (2)
[12:09:24] Writing local file
---------------------------------------------------------------------
[13:40:08] Completed 195000 out of 1500000 steps (13)
[13:49:13] Writing local files
[13:49:13] Completed 210000 out of 1500000 steps (14)
[13:53:33] Quit 101 - Fatal error:
[13:53:33] Step 217186, time 434.372 (ps) LINCS WARNING
[13:53:33] relative constraint deviation after LINCS:
[13:53:33] max 0.001475 (between atoms 535 and 536) rms 0.000113
Pete