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[11:44:11] Verifying core Core_a2.fah...
[11:44:11] Signature is VALID
[11:44:11]
[11:44:11] Trying to unzip core FahCore_a2.exe
[11:44:11] Decompressed FahCore_a2.exe (5509624 bytes) successfully
[11:44:11] + Core successfully engaged
[11:44:17]
[11:44:17] + Processing work unit
[11:44:17] At least 4 processors must be requested.Core required: FahCore_a2.exe
[11:44:17] Core found.
[11:44:17] Working on queue slot 01 [January 28 11:44:17 UTC]
[11:44:17] + Working ...
[11:44:17] - Calling './mpiexec -np 4 -host 127.0.0.1 ./FahCore_a2.exe -dir work/ -suffix 01 -checkpoint 15 -verbose -lifeline 6124 -version 624'
[11:44:17]
[11:44:17] *------------------------------*
[11:44:17] Folding@Home Gromacs SMP Core
[11:44:17] Version 2.10 (Sun Aug 30 03:43:28 CEST 2009)
[11:44:17]
[11:44:17] Preparing to commence simulation
[11:44:17] - Ensuring status. Please wait.
[11:44:18] Called DecompressByteArray: compressed_data_size=4839195 data_size=24029389, decompressed_data_size=24029389 diff=0
[11:44:18] - Digital signature verified
[11:44:18]
[11:44:18] Project: 2677 (Run 23, Clone 31, Gen 62)
[11:44:18]
[11:44:18] Assembly optimizations on if available.
[11:44:18] Entering M.D.
[11:44:27] Run 23, Clone 31, Gen 62)
[11:44:27]
[11:44:27] Entering M.D.
NNODES=4, MYRANK=3, HOSTNAME=tuffy-folder
NNODES=4, MYRANK=1, HOSTNAME=tuffy-folder
NNODES=4, MYRANK=2, HOSTNAME=tuffy-folder
NNODES=4, MYRANK=0, HOSTNAME=tuffy-folder
NODEID=0 argc=20
NODEID=1 argc=20
Reading file work/wudata_01.tpr, VERSION 3.3.99_development_20070618 (single precision)
NODEID=2 argc=20
NODEID=3 argc=20
Note: tpx file_version 48, software version 68
NOTE: The tpr file used for this simulation is in an old format, for less memory usage and possibly more performance create a new tpr file with an up to date version of grompp
Making 1D domain decomposition 1 x 1 x 4
starting mdrun '22869 system in water'
15750000 steps, 31500.0 ps (continuing from step 15500000, 31000.0 ps).
Step 15500000, time 31000 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 2449.734475, max 134246.343750 (between atoms 5464 and 5466)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
5464 5465 90.2 0.1090 318.2937 0.1090
5464 5466 90.1 0.1090 14632.9619 0.1090
t = 31000.001 ps: Water molecule starting at atom 63532 can not be settled.
Check for bad contacts and/or reduce the timestep.
[11:44:36] lding@home Core Shutdown: INTERRUPTED
application called MPI_Abort(MPI_COMM_WORLD, 102) - process 0
I've tried deleting the work folder, queue.dat file, the a2 core and ran with the -smp 4 flag.
Non OC 2.3 Barcelona, 4GB of ram, Ubuntu 9.1
Also running the Nvidia GPU2 client in wine.