Folding Forum

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step 207660851: Water molecule starting at atom 8338 can not be settled.
Check for bad contacts and/or reduce the timestep if appropriate.

step 207660851: Water molecule starting at atom 17227 can not be settled.
Check for bad contacts and/or reduce the timestep if appropriate.

Code: Select all

[18:59:28] + Working ...
[18:59:28] - Calling './FahCore_a3.exe -dir work/ -nice 19 -suffix 01 -np 4 -checkpoint 15 -verbose -lifeline 7318 -version 629'

[18:59:28] 
[18:59:28] *------------------------------*
[18:59:28] Folding@Home Gromacs SMP Core
[18:59:29] Version 2.22 (June 10, 2010)
[18:59:29] 
[18:59:29] Preparing to commence simulation
[18:59:29] - Looking at optimizations...
[18:59:29] - Created dyn
[18:59:29] - Files status OK
[18:59:29] - Expanded 763330 -> 1404481 (decompressed 183.9 percent)
[18:59:29] Called DecompressByteArray: compressed_data_size=763330 data_size=1404481, decompressed_data_size=1404481 diff=0
[18:59:29] - Digital signature verified
[18:59:29] 
[18:59:29] Project: 6701 (Run 46, Clone 5, Gen 103)
[18:59:29] 
[18:59:29] Assembly optimizations on if available.
[18:59:29] Entering M.D.
[18:59:36] Completed 0 out of 2000000 steps  (0%)
[19:10:48] Completed 20000 out of 2000000 steps  (1%)
... snip ..
[10:26:59] Completed 1660000 out of 2000000 steps  (83%)
[10:27:29] CoreStatus = 0 (0)
[10:27:29] Sending work to server
[10:27:29] Project: 6701 (Run 46, Clone 5, Gen 103)
[10:27:29] - Error: Could not get length of results file work/wuresults_01.dat
[10:27:29] - Error: Could not read unit 01 file. Removing from queue.