origami

Completed work unit does not submit

Bug #451340 reported by JLotspeich on 2009-10-14

This bug affects 1 person

Affects		Status	Importance	Assigned to	Milestone
	origami	Invalid	Undecided	Christer Edwards

Bug Description

Origami status returns:
#########################################
current status of origami on yoda
#########################################

Starting of FAH client(s): OK
Status of FAH client(s): OK

Completed WU on CPU #1: 2
Completed WU on CPU #2: 2
Your Team: 0
Your Username: Anonymous

Current Work Unit
-----------------
Name: p4461_Seq52_Amber03
Tag: P4461R308C3G36
Download time: October 6 13:18:27
Due time: December 8 13:18:27
Progress: 100% [||||||||||]
Current Work Unit
-----------------
Name: p6303_sh3_with_SER_frags
Tag: P6303R234C1F55
Download time: October 6 17:13:00
Due time: November 27 17:13:00
Progress: 100% [||||||||||]

Progress on this work unit has been at 100% since 8 Oct. It is currently 14 Oct.

I'm running Ubuntu Jaunty, kernal 2.6.15-generic, on an AMD64 X2 architecture

Revision history for this message

Christer Edwards (christer.edwards) wrote on 2009-10-14:

Can you please post or pastebin the contents of your FAHlog.txt file(s). You should be able to find these at:

/var/lib/origami/foldingathome/CPU*/FAHlog.txt

Thank you

Changed in origami:
assignee:	nobody → Christer Edwards (christer.edwards)
status:	New → Incomplete

Revision history for this message

JLotspeich (jlotspeich34) wrote on 2009-10-15:

Download full text (99.9 KiB)

--- Opening Log file [October 10 02:05:33]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6

[02:05:33] - Ask before connecting: No
[02:05:33] - User name: Anonymous (Team 0)
[02:05:33] - User ID: 1DDCAA6700E9A5D3
[02:05:33] - Machine ID: 1
[02:05:33]
[02:05:34] Loaded queue successfully.
[02:05:34] - Preparing to get new work unit...
[02:05:34] + Attempting to get work packet
[02:05:34] - Connecting to assignment server
[02:05:34] + Could not connect to Assignment Server
[02:05:34] + Could not connect to Assignment Server 2
[02:05:34] + Couldn't get work instructions.
[02:05:34] - Attempt #1 to get work failed, and no other work to do.
Waiting before retry.
[02:05:42] + Attempting to get work packet
[02:05:42] - Connecting to assignment server
[02:05:42] + Could not connect to Assignment Server
[02:05:42] + Could not connect to Assignment Server 2
[02:05:42] + Couldn't get work instructions.
[02:05:42] - Attempt #2 to get work failed, and no other work to do.
Waiting before retry.

--- Opening Log file [October 13 15:12:04]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6

--- Opening Log file [October 10 02:05:33]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6

[02:05:33] - Ask before connecting: No
[02:05:33] - User name: Anonymous (Team 0)
[02:05:33] - User ID: 1DDCAA6700E9A5D3
[02:05:33] - Machine ID: 1
[02:05:33] 
[02:05:34] Loaded queue successfully.
[02:05:34] - Preparing to get new work unit...
[02:05:34] + Attempting to get work packet
[02:05:34] - Connecting to assignment server
[02:05:34] + Could not connect to Assignment Server
[02:05:34] + Could not connect to Assignment Server 2
[02:05:34] + Couldn't get work instructions.
[02:05:34] - Attempt #1  to get work failed, and no other work to do.
             Waiting before retry.
[02:05:42] + Attempting to get work packet
[02:05:42] - Connecting to assignment server
[02:05:42] + Could not connect to Assignment Server
[02:05:42] + Could not connect to Assignment Server 2
[02:05:42] + Couldn't get work instructions.
[02:05:42] - Attempt #2  to get work failed, and no other work to do.
             Waiting before retry.

--- Opening Log file [October 13 15:12:04]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6

[15:12:04] - Ask before connecting: No
[15:12:04] - User name: Anonymous (Team 0)
[15:12:04] - User ID: 1DDCAA6700E9A5D3
[15:12:04] - Machine ID: 1
[15:12:04] 
[15:12:04] Loaded queue successfully.
[15:12:04] - Preparing to get new work unit...
[15:12:04] + Attempting to get work packet
[15:12:04] - Connecting to assignment server
[15:12:04] + Could not connect to Assignment Server
[15:12:04] + Could not connect to Assignment Server 2
[15:12:04] + Couldn't get work instructions.
[15:12:04] - Attempt #1  to get work failed, and no other work to do.
             Waiting before retry.
[15:12:17] + Attempting to get work packet
[15:12:17] - Connecting to assignment server
[15:12:17] + Could not connect to Assignment Server
[15:12:17] + Could not connect to Assignment Server 2
[15:12:17] + Couldn't get work instructions.
[15:12:17] - Attempt #2  to get work failed, and no other work to do.
             Waiting before retry.
[15:12:35] + Attempting to get work packet
[15:12:35] - Connecting to assignment server
[15:12:35] + Could not connect to Assignment Server
[15:12:35] + Could not connect to Assignment Server 2
[15:12:35] + Couldn't get work instructions.
[15:12:35] - Attempt #3  to get work failed, and no other work to do.
             Waiting before retry.
[15:13:02] + Attempting to get work packet
[15:13:02] - Connecting to assignment server
[15:13:02] + Could not connect to Assignment Server
[15:13:02] + Could not connect to Assignment Server 2
[15:13:02] + Couldn't get work instructions.
[15:13:02] - Attempt #4  to get work failed, and no other work to do.
             Waiting before retry.
[15:13:47] + Attempting to get work packet
[15:13:47] - Connecting to assignment server
[15:13:52] + No appropriate work server was available; will try again in a bit.
[15:13:52] + Couldn't get work instructions.
[15:13:52] - Attempt #5  to get work failed, and no other work to do.
             Waiting before retry.
[15:15:21] + Attempting to get work packet
[15:15:21] - Connecting to assignment server
[15:15:21] - Successful: assigned to (129.74.85.48).
[15:15:21] + News From Folding@Home: Welcome to Folding@Home
[15:15:21] Loaded queue successfully.
[15:15:22] + Closed connections
[15:15:22] 
[15:15:22] + Processing work unit
[15:15:22] Core required: FahCore_b4.exe
[15:15:22] Core not found.
[15:15:22] - Core is not present or corrupted.
[15:15:22] - Attempting to download new core...
[15:15:22] + Downloading new core: FahCore_b4.exe
[15:15:22] + 10240 bytes downloaded
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[15:15:23] Verifying core Core_b4.fah...
[15:15:23] Signature is VALID
[15:15:23] 
[15:15:23] Trying to unzip core FahCore_b4.exe
[15:15:24] Decompressed FahCore_b4.exe (7260868 bytes) successfully
[15:15:24] + Core successfully engaged
[15:15:30] 
[15:15:30] + Processing work unit
[15:15:30] Core required: FahCore_b4.exe
[15:15:30] Core found.
[15:15:30] Working on Unit 03 [October 13 15:15:30]
[15:15:30] + Working ...
[15:15:30] ******* Log Started 13/Oct/2009 08:15:30 *******
[15:15:30] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2775 -version 602 
[15:15:30]                type 1000
[15:15:30]           core_type 180
[15:15:30]            core_ver 0
[15:15:30]    compression_type 1
[15:15:30]           checkbits 7facc8ec-ce87a842-23d8ec2e-117dd037-b9021ef9
[15:15:30]                 run 4909
[15:15:30]               clone 0
[15:15:30]                 gen 1
[15:15:30]             user_id 0x00000000000000000000000000000000
[15:15:30]             work_id 0x00000000000132994aa6ec510000132b
[15:15:30]             mach_id 1
[15:15:30]           data_size 414208
[15:15:30]     compressed_size 65366
[15:15:30]       data_checksum 5985222a-61271786-d45048a6-795fe086-bb9fc61e
[15:15:30]          project_id 1031
[15:15:30] Reading tar file checkpt
[15:15:30] Reading tar file ww_exteq_nowater1.49.pos
[15:15:30] Reading tar file ww_exteq_nowater1.49.vel
[15:15:30] Reading tar file protomol.conf
[15:15:30] Reading tar file par_all27_prot_lipid.inp
[15:15:30] Reading tar file scpismQuartic.inp
[15:15:30] Reading tar file ww_exteq_nowater1.pdb
[15:15:30] Reading tar file ww_exteq_nowater1.psf
[15:15:30] Digital signatures verified
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[15:15:30]                 component based framework.
[15:15:30]        Version: 3.1
[15:15:30]   SVN revision: 1698
[15:15:30]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[15:15:30]       Homepage: http://protomol.sourceforge.net/
[15:15:30] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[15:15:30]       Compiler: g++ 4.1.2
[15:15:30]          Flags: 
[15:15:30]     Extra libs: 
[15:15:30]       Built by: buildbot
[15:15:30] Build platform: posix
[15:15:30]     Build date: Oct  7 2009, 09:10:13
[15:15:30]   Checksumming: Enabled for Folding@Home file protection.
[15:15:30]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[15:15:30]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[15:15:30]                 An object-oriented framework for prototyping novel algorithms
[15:15:30]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[15:15:30]                 2004.
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:15:30] Recoverable Error:  Ignoring: Gui false
[15:15:30] !Checkpoint File!
[15:15:30] Reading checkpoint
[15:15:30] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[15:15:30] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[15:15:30] Using PSF file 'ww_exteq_nowater1.psf' (544).
[15:15:30] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[15:15:30] Using SCPISM file 'scpismQuartic.inp'.
[15:15:30] SCPISM: doSCPISM set to 4.
[15:15:30] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[15:15:30] !Checkpoint File!
[15:15:30] Removed linear momentum : (3.43595,0.696442,0.487317)
[15:15:30] Removed angular momentum : (-24.8683,21.4834,11.059)
[15:15:30] Actual start temperature : 306.665K
[15:15:30] Virial tensor : false
[15:15:30] Molecular virial tensor : false
[15:15:30] Exception in 0: @ fah/net/Socket.cpp:137:bind 0: Could not bind socket to 0.0.0.0:52753: Address already in use
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[15:15:30] Output DCDFile ww.d49.dcd 500 false.
[15:15:30] Output FAHFile ../current.xyz 50000.
[15:15:30] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[15:15:30] Output Screen true 50000.
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[15:15:30]   Level 0 LangevinLeapfrog {
[15:15:30]       timestep 1
[15:15:30]       temperature 300
[15:15:30]       gamma 91
[15:15:30]       seed 7261
[15:15:30]     Force Improper
[15:15:30]     Force Dihedral
[15:15:30]     Force Bond
[15:15:30]     Force Angle
[15:15:30]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:15:30]       -switchon 15	 # C2 swf switch on
[15:15:30]       -cutoff 20	 # C2 swf cutoff
[15:15:30]       -D 80	 # Bulk solvent dielectric
[15:15:30]       -switchon 8	 # C2 swf switch on
[15:15:30]       -cutoff 20	 # C2 swf cutoff
[15:15:30]       -bornswitch 3	 # Born Switch type
[15:15:30]       -cutoff 5	 # cutoff swf cutoff
[15:15:30]       -cutoff 20	 # algorithm cutoff
[15:15:30]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:15:30]       -bornswitch 3	 # Born Switch type
[15:15:30]       -D 80	 # Bulk solvent dielectric constant.
[15:15:30]       -cutoff 5	 # cutoff swf cutoff
[15:15:30]       -cutoff 5	 # algorithm cutoff
[15:15:30]   }
[15:15:30] }
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[15:15:30] AtomTypes            : 32
[15:15:30] Bonds                : 553
[15:15:30] Angles               : 989
[15:15:30] Dihedrals            : 1460 (1529)
[15:15:30] Impropers            : 90
[15:15:30] Molecules            : 1
[15:15:30] Water                : 0
[15:15:30] Pairs                : 724
[15:15:30] Degree of freedom    : 1629
[15:15:30] Molecule pair dist's : true
[15:15:30] Exclusion pairs      : 2962
[15:15:30] Max exclusion dist   : 26
[15:15:30] Time                 : 1000000
[15:15:30] CellManager          : Cubic
[15:15:30] BoundaryConditions   : Vacuum orthogonal
[15:15:30] coulombScalingFactor : 1
[15:15:30] exclude              : scaled1-4
[15:15:30] cellSize             : 5
[15:15:30] Atom density         : 0.00415908530697166
[15:15:30] Atom/cell            : 0.519885663371458
[15:15:30] Real cell size       : (5,5,5)
[15:15:30] Cell dimension       : (12,10,10)
[15:15:30] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[15:15:30] Particle             : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[15:15:30] Particle extended    : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[15:15:30] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:15:30] Step : 1000000, Time :      1.000 [ns], TE :   -2985.4531 [kcal/mol], T :   306.6651 [K], V :    130797.99 [AA^3]
[15:30:31] Checkpointing: Step 1023396. . .done
[15:45:32] Checkpointing: Step 1044960. . .done
[15:48:54] Step: 1050000
[15:48:54] Checkpointing: Step 1050000. . .done
[15:48:54] Step : 1050000, Time :      1.050 [ns], TE :   -2994.7204 [kcal/mol], T :   302.7714 [K], V :    142627.89 [AA^3]
[16:00:33] Checkpointing: Step 1065059. . .done
[16:15:34] Checkpointing: Step 1086121. . .done
[16:24:44] Step: 1100000
[16:24:44] Checkpointing: Step 1100000. . .done
[16:24:44] Step : 1100000, Time :      1.100 [ns], TE :   -2982.5447 [kcal/mol], T :   292.6149 [K], V :    142863.70 [AA^3]
[16:30:35] Checkpointing: Step 1109082. . .done
[16:45:36] Checkpointing: Step 1132486. . .done
[16:56:41] Step: 1150000
[16:56:41] Checkpointing: Step 1150000. . .done
[16:56:42] Step : 1150000, Time :      1.150 [ns], TE :   -2959.1848 [kcal/mol], T :   313.5460 [K], V :    135403.85 [AA^3]
[17:00:37] Checkpointing: Step 1156045. . .done

--- Opening Log file [October 14 04:58:39]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6

[04:58:39] - Ask before connecting: No
[04:58:39] - User name: Anonymous (Team 0)
[04:58:39] - User ID: 1DDCAA6700E9A5D3
[04:58:39] - Machine ID: 1
[04:58:39] 
[04:58:40] Loaded queue successfully.
[04:58:40] 
[04:58:40] + Processing work unit
[04:58:40] Core required: FahCore_b4.exe
[04:58:40] Core found.
[04:58:40] Working on Unit 03 [October 14 04:58:40]
[04:58:40] + Working ...
[04:58:40] ******* Log Started 13/Oct/2009 21:58:40 *******
[04:58:40] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2949 -version 602 
[04:58:41]                type 1000
[04:58:41]           core_type 180
[04:58:41]            core_ver 0
[04:58:41]    compression_type 1
[04:58:41]           checkbits 7facc8ec-ce87a842-23d8ec2e-117dd037-b9021ef9
[04:58:41]                 run 4909
[04:58:41]               clone 0
[04:58:41]                 gen 1
[04:58:41]             user_id 0x00000000000000000000000000000000
[04:58:41]             work_id 0x00000000000132994aa6ec510000132b
[04:58:41]             mach_id 1
[04:58:41]           data_size 414208
[04:58:41]     compressed_size 65366
[04:58:41]       data_checksum 5985222a-61271786-d45048a6-795fe086-bb9fc61e
[04:58:41]          project_id 1031
[04:58:41] Reading tar file checkpt
[04:58:41] Reading tar file ww_exteq_nowater1.49.pos
[04:58:41] Reading tar file ww_exteq_nowater1.49.vel
[04:58:41] Reading tar file protomol.conf
[04:58:41] Reading tar file par_all27_prot_lipid.inp
[04:58:41] Reading tar file scpismQuartic.inp
[04:58:41] Reading tar file ww_exteq_nowater1.pdb
[04:58:41] Reading tar file ww_exteq_nowater1.psf
[04:58:41] Digital signatures verified
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[04:58:41]                 component based framework.
[04:58:41]        Version: 3.1
[04:58:41]   SVN revision: 1698
[04:58:41]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[04:58:41]       Homepage: http://protomol.sourceforge.net/
[04:58:41] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[04:58:41]       Compiler: g++ 4.1.2
[04:58:41]          Flags: 
[04:58:41]     Extra libs: 
[04:58:41]       Built by: buildbot
[04:58:41] Build platform: posix
[04:58:41]     Build date: Oct  7 2009, 09:10:13
[04:58:41]   Checksumming: Enabled for Folding@Home file protection.
[04:58:41]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[04:58:41]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[04:58:41]                 An object-oriented framework for prototyping novel algorithms
[04:58:41]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[04:58:41]                 2004.
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[04:58:41] Recoverable Error:  Ignoring: Gui false
[04:58:41] !Checkpoint File!
[04:58:41] Reading checkpoint
[04:58:41] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[04:58:41] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[04:58:41] Using PSF file 'ww_exteq_nowater1.psf' (544).
[04:58:41] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[04:58:41] Using SCPISM file 'scpismQuartic.inp'.
[04:58:41] SCPISM: doSCPISM set to 4.
[04:58:41] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[04:58:41] !Checkpoint File!
[04:58:41] Removed linear momentum : (3.43595,0.696442,0.487317)
[04:58:41] Removed angular momentum : (-24.8683,21.4834,11.059)
[04:58:41] Actual start temperature : 306.665K
[04:58:41] Virial tensor : false
[04:58:41] Molecular virial tensor : false
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[04:58:41] Output DCDFile ww.d49.dcd 500 false.
[04:58:41] Output FAHFile ../current.xyz 50000.
[04:58:41] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[04:58:41] Output Screen true 50000.
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[04:58:41]   Level 0 LangevinLeapfrog {
[04:58:41]       timestep 1
[04:58:41]       temperature 300
[04:58:41]       gamma 91
[04:58:41]       seed 7261
[04:58:41]     Force Improper
[04:58:41]     Force Dihedral
[04:58:41]     Force Bond
[04:58:41]     Force Angle
[04:58:41]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[04:58:41]       -switchon 15	 # C2 swf switch on
[04:58:41]       -cutoff 20	 # C2 swf cutoff
[04:58:41]       -D 80	 # Bulk solvent dielectric
[04:58:41]       -switchon 8	 # C2 swf switch on
[04:58:41]       -cutoff 20	 # C2 swf cutoff
[04:58:41]       -bornswitch 3	 # Born Switch type
[04:58:41]       -cutoff 5	 # cutoff swf cutoff
[04:58:41]       -cutoff 20	 # algorithm cutoff
[04:58:41]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[04:58:41]       -bornswitch 3	 # Born Switch type
[04:58:41]       -D 80	 # Bulk solvent dielectric constant.
[04:58:41]       -cutoff 5	 # cutoff swf cutoff
[04:58:41]       -cutoff 5	 # algorithm cutoff
[04:58:41]   }
[04:58:41] }
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[04:58:41] AtomTypes            : 32
[04:58:41] Bonds                : 553
[04:58:41] Angles               : 989
[04:58:41] Dihedrals            : 1460 (1529)
[04:58:41] Impropers            : 90
[04:58:41] Molecules            : 1
[04:58:41] Water                : 0
[04:58:41] Pairs                : 724
[04:58:41] Degree of freedom    : 1629
[04:58:41] Molecule pair dist's : true
[04:58:41] Exclusion pairs      : 2962
[04:58:41] Max exclusion dist   : 26
[04:58:41] Time                 : 1000000
[04:58:41] CellManager          : Cubic
[04:58:41] BoundaryConditions   : Vacuum orthogonal
[04:58:41] coulombScalingFactor : 1
[04:58:41] exclude              : scaled1-4
[04:58:41] cellSize             : 5
[04:58:41] Atom density         : 0.00415908530697166
[04:58:41] Atom/cell            : 0.519885663371458
[04:58:41] Real cell size       : (5,5,5)
[04:58:41] Cell dimension       : (12,10,10)
[04:58:41] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[04:58:41] Particle             : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[04:58:41] Particle extended    : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[04:58:41] Step : 1000000, Time :      1.000 [ns], TE :   -2985.4531 [kcal/mol], T :   306.6651 [K], V :    130797.99 [AA^3]

--- Opening Log file [October 14 05:50:43]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6

[05:50:43] - Ask before connecting: No
[05:50:43] - User name: Anonymous (Team 0)
[05:50:43] - User ID: 1DDCAA6700E9A5D3
[05:50:43] - Machine ID: 1
[05:50:43] 
[05:50:43] Loaded queue successfully.
[05:50:43] 
[05:50:43] + Processing work unit
[05:50:43] Core required: FahCore_b4.exe
[05:50:43] Core found.
[05:50:43] Working on Unit 03 [October 14 05:50:43]
[05:50:43] + Working ...
[05:50:44] ******* Log Started 13/Oct/2009 22:50:44 *******
[05:50:44] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2926 -version 602 
[05:50:44]                type 1000
[05:50:44]           core_type 180
[05:50:44]            core_ver 0
[05:50:44]    compression_type 1
[05:50:44]           checkbits 7facc8ec-ce87a842-23d8ec2e-117dd037-b9021ef9
[05:50:44]                 run 4909
[05:50:44]               clone 0
[05:50:44]                 gen 1
[05:50:44]             user_id 0x00000000000000000000000000000000
[05:50:44]             work_id 0x00000000000132994aa6ec510000132b
[05:50:44]             mach_id 1
[05:50:44]           data_size 414208
[05:50:44]     compressed_size 65366
[05:50:44]       data_checksum 5985222a-61271786-d45048a6-795fe086-bb9fc61e
[05:50:44]          project_id 1031
[05:50:44] Reading tar file checkpt
[05:50:44] Reading tar file ww_exteq_nowater1.49.pos
[05:50:44] Reading tar file ww_exteq_nowater1.49.vel
[05:50:44] Reading tar file protomol.conf
[05:50:44] Reading tar file par_all27_prot_lipid.inp
[05:50:44] Reading tar file scpismQuartic.inp
[05:50:44] Reading tar file ww_exteq_nowater1.pdb
[05:50:44] Reading tar file ww_exteq_nowater1.psf
[05:50:44] Digital signatures verified
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[05:50:44]                 component based framework.
[05:50:44]        Version: 3.1
[05:50:44]   SVN revision: 1698
[05:50:44]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[05:50:44]       Homepage: http://protomol.sourceforge.net/
[05:50:44] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[05:50:44]       Compiler: g++ 4.1.2
[05:50:44]          Flags: 
[05:50:44]     Extra libs: 
[05:50:44]       Built by: buildbot
[05:50:44] Build platform: posix
[05:50:44]     Build date: Oct  7 2009, 09:10:13
[05:50:44]   Checksumming: Enabled for Folding@Home file protection.
[05:50:44]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[05:50:44]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[05:50:44]                 An object-oriented framework for prototyping novel algorithms
[05:50:44]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[05:50:44]                 2004.
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[05:50:44] Recoverable Error:  Ignoring: Gui false
[05:50:44] !Checkpoint File!
[05:50:44] Reading checkpoint
[05:50:44] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[05:50:44] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[05:50:44] Using PSF file 'ww_exteq_nowater1.psf' (544).
[05:50:44] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[05:50:44] Using SCPISM file 'scpismQuartic.inp'.
[05:50:44] SCPISM: doSCPISM set to 4.
[05:50:44] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[05:50:45] !Checkpoint File!
[05:50:45] Removed linear momentum : (3.43595,0.696442,0.487317)
[05:50:45] Removed angular momentum : (-24.8683,21.4834,11.059)
[05:50:45] Actual start temperature : 306.665K
[05:50:45] Virial tensor : false
[05:50:45] Molecular virial tensor : false
[05:50:45] Exception in 0: @ fah/net/Socket.cpp:137:bind 0: Could not bind socket to 0.0.0.0:52753: Address already in use
[05:50:45] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[05:50:45] Output DCDFile ww.d49.dcd 500 false.
[05:50:45] Output FAHFile ../current.xyz 50000.
[05:50:45] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[05:50:45] Output Screen true 50000.
[05:50:45] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[05:50:45]   Level 0 LangevinLeapfrog {
[05:50:45]       timestep 1
[05:50:45]       temperature 300
[05:50:45]       gamma 91
[05:50:45]       seed 7261
[05:50:45]     Force Improper
[05:50:45]     Force Dihedral
[05:50:45]     Force Bond
[05:50:45]     Force Angle
[05:50:45]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[05:50:45]       -switchon 15	 # C2 swf switch on
[05:50:45]       -cutoff 20	 # C2 swf cutoff
[05:50:45]       -D 80	 # Bulk solvent dielectric
[05:50:45]       -switchon 8	 # C2 swf switch on
[05:50:45]       -cutoff 20	 # C2 swf cutoff
[05:50:45]       -bornswitch 3	 # Born Switch type
[05:50:45]       -cutoff 5	 # cutoff swf cutoff
[05:50:45]       -cutoff 20	 # algorithm cutoff
[05:50:45]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[05:50:45]       -bornswitch 3	 # Born Switch type
[05:50:45]       -D 80	 # Bulk solvent dielectric constant.
[05:50:45]       -cutoff 5	 # cutoff swf cutoff
[05:50:45]       -cutoff 5	 # algorithm cutoff
[05:50:45]   }
[05:50:45] }
[05:50:45] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[05:50:45] AtomTypes            : 32
[05:50:45] Bonds                : 553
[05:50:45] Angles               : 989
[05:50:45] Dihedrals            : 1460 (1529)
[05:50:45] Impropers            : 90
[05:50:45] Molecules            : 1
[05:50:45] Water                : 0
[05:50:45] Pairs                : 724
[05:50:45] Degree of freedom    : 1629
[05:50:45] Molecule pair dist's : true
[05:50:45] Exclusion pairs      : 2962
[05:50:45] Max exclusion dist   : 26
[05:50:45] Time                 : 1000000
[05:50:45] CellManager          : Cubic
[05:50:45] BoundaryConditions   : Vacuum orthogonal
[05:50:45] coulombScalingFactor : 1
[05:50:45] exclude              : scaled1-4
[05:50:45] cellSize             : 5
[05:50:45] Atom density         : 0.00415908530697166
[05:50:45] Atom/cell            : 0.519885663371458
[05:50:45] Real cell size       : (5,5,5)
[05:50:45] Cell dimension       : (12,10,10)
[05:50:45] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[05:50:45] Particle             : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[05:50:45] Particle extended    : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[05:50:45] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[05:50:45] Step : 1000000, Time :      1.000 [ns], TE :   -2985.4531 [kcal/mol], T :   306.6651 [K], V :    130797.99 [AA^3]

--- Opening Log file [October 14 15:03:55]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU1
Executable: /var/lib/origami/foldingathome/CPU1/fah6

[15:03:55] - Ask before connecting: No
[15:03:55] - User name: Anonymous (Team 0)
[15:03:55] - User ID: 1DDCAA6700E9A5D3
[15:03:55] - Machine ID: 1
[15:03:55] 
[15:03:55] Loaded queue successfully.
[15:03:55] 
[15:03:55] + Processing work unit
[15:03:55] Core required: FahCore_b4.exe
[15:03:55] Core found.
[15:03:55] Working on Unit 03 [October 14 15:03:55]
[15:03:55] + Working ...
[15:03:56] ******* Log Started 14/Oct/2009 08:03:56 *******
[15:03:56] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 30765 -version 602 
[15:03:56]                type 1000
[15:03:56]           core_type 180
[15:03:56]            core_ver 0
[15:03:56]    compression_type 1
[15:03:56]           checkbits 7facc8ec-ce87a842-23d8ec2e-117dd037-b9021ef9
[15:03:56]                 run 4909
[15:03:56]               clone 0
[15:03:56]                 gen 1
[15:03:56]             user_id 0x00000000000000000000000000000000
[15:03:56]             work_id 0x00000000000132994aa6ec510000132b
[15:03:56]             mach_id 1
[15:03:56]           data_size 414208
[15:03:56]     compressed_size 65366
[15:03:56]       data_checksum 5985222a-61271786-d45048a6-795fe086-bb9fc61e
[15:03:56]          project_id 1031
[15:03:56] Reading tar file checkpt
[15:03:56] Reading tar file ww_exteq_nowater1.49.pos
[15:03:56] Reading tar file ww_exteq_nowater1.49.vel
[15:03:56] Reading tar file protomol.conf
[15:03:56] Reading tar file par_all27_prot_lipid.inp
[15:03:56] Reading tar file scpismQuartic.inp
[15:03:56] Reading tar file ww_exteq_nowater1.pdb
[15:03:56] Reading tar file ww_exteq_nowater1.psf
[15:03:56] Digital signatures verified
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[15:03:56]                 component based framework.
[15:03:56]        Version: 3.1
[15:03:56]   SVN revision: 1698
[15:03:56]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[15:03:56]       Homepage: http://protomol.sourceforge.net/
[15:03:56] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[15:03:56]       Compiler: g++ 4.1.2
[15:03:56]          Flags: 
[15:03:56]     Extra libs: 
[15:03:56]       Built by: buildbot
[15:03:56] Build platform: posix
[15:03:56]     Build date: Oct  7 2009, 09:10:13
[15:03:56]   Checksumming: Enabled for Folding@Home file protection.
[15:03:56]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[15:03:56]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[15:03:56]                 An object-oriented framework for prototyping novel algorithms
[15:03:56]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[15:03:56]                 2004.
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:03:56] Recoverable Error:  Ignoring: Gui false
[15:03:56] !Checkpoint File!
[15:03:56] Reading checkpoint
[15:03:56] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[15:03:56] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[15:03:56] Using PSF file 'ww_exteq_nowater1.psf' (544).
[15:03:56] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[15:03:56] Using SCPISM file 'scpismQuartic.inp'.
[15:03:56] SCPISM: doSCPISM set to 4.
[15:03:56] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[15:03:56] !Checkpoint File!
[15:03:56] Removed linear momentum : (3.43595,0.696442,0.487317)
[15:03:56] Removed angular momentum : (-24.8683,21.4834,11.059)
[15:03:56] Actual start temperature : 306.665K
[15:03:56] Virial tensor : false
[15:03:56] Molecular virial tensor : false
[15:03:57] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[15:03:57] Output DCDFile ww.d49.dcd 500 false.
[15:03:57] Output FAHFile ../current.xyz 50000.
[15:03:57] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[15:03:57] Output Screen true 50000.
[15:03:57] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[15:03:57]   Level 0 LangevinLeapfrog {
[15:03:57]       timestep 1
[15:03:57]       temperature 300
[15:03:57]       gamma 91
[15:03:57]       seed 7261
[15:03:57]     Force Improper
[15:03:57]     Force Dihedral
[15:03:57]     Force Bond
[15:03:57]     Force Angle
[15:03:57]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:03:57]       -switchon 15	 # C2 swf switch on
[15:03:57]       -cutoff 20	 # C2 swf cutoff
[15:03:57]       -D 80	 # Bulk solvent dielectric
[15:03:57]       -switchon 8	 # C2 swf switch on
[15:03:57]       -cutoff 20	 # C2 swf cutoff
[15:03:57]       -bornswitch 3	 # Born Switch type
[15:03:57]       -cutoff 5	 # cutoff swf cutoff
[15:03:57]       -cutoff 20	 # algorithm cutoff
[15:03:57]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:03:57]       -bornswitch 3	 # Born Switch type
[15:03:57]       -D 80	 # Bulk solvent dielectric constant.
[15:03:57]       -cutoff 5	 # cutoff swf cutoff
[15:03:57]       -cutoff 5	 # algorithm cutoff
[15:03:57]   }
[15:03:57] }
[15:03:57] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[15:03:57] AtomTypes            : 32
[15:03:57] Bonds                : 553
[15:03:57] Angles               : 989
[15:03:57] Dihedrals            : 1460 (1529)
[15:03:57] Impropers            : 90
[15:03:57] Molecules            : 1
[15:03:57] Water                : 0
[15:03:57] Pairs                : 724
[15:03:57] Degree of freedom    : 1629
[15:03:57] Molecule pair dist's : true
[15:03:57] Exclusion pairs      : 2962
[15:03:57] Max exclusion dist   : 26
[15:03:57] Time                 : 1000000
[15:03:57] CellManager          : Cubic
[15:03:57] BoundaryConditions   : Vacuum orthogonal
[15:03:57] coulombScalingFactor : 1
[15:03:57] exclude              : scaled1-4
[15:03:57] cellSize             : 5
[15:03:57] Atom density         : 0.00415908530697166
[15:03:57] Atom/cell            : 0.519885663371458
[15:03:57] Real cell size       : (5,5,5)
[15:03:57] Cell dimension       : (12,10,10)
[15:03:57] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[15:03:57] Particle             : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[15:03:57] Particle extended    : (-64.8030344762447,18.6943885511167,24.1403628410593)-(-9.19607694026718,67.8525671992692,71.9897251227171) (55.6069575359775,49.1581786481525,47.8493622816578)
[15:03:57] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:03:57] Step : 1000000, Time :      1.000 [ns], TE :   -2985.4531 [kcal/mol], T :   306.6651 [K], V :    130797.99 [AA^3]
[15:18:57] Checkpointing: Step 1022140. . .done
[15:33:58] Checkpointing: Step 1043900. . .done
[15:38:01] Step: 1050000
[15:38:01] Checkpointing: Step 1050000. . .done
[15:38:01] Step : 1050000, Time :      1.050 [ns], TE :   -2994.7204 [kcal/mol], T :   302.7714 [K], V :    142627.89 [AA^3]
[15:48:59] Checkpointing: Step 1066829. . .done
[16:04:00] Checkpointing: Step 1089989. . .done
[16:10:31] Step: 1100000
[16:10:31] Checkpointing: Step 1100000. . .done
[16:10:31] Step : 1100000, Time :      1.100 [ns], TE :   -2982.5447 [kcal/mol], T :   292.6149 [K], V :    142863.70 [AA^3]
[16:19:01] Checkpointing: Step 1113471. . .done
[16:34:02] Checkpointing: Step 1136849. . .done
[16:42:25] Step: 1150000
[16:42:25] Checkpointing: Step 1150000. . .done
[16:42:25] Step : 1150000, Time :      1.150 [ns], TE :   -2959.1848 [kcal/mol], T :   313.5460 [K], V :    135403.85 [AA^3]
[16:49:03] Checkpointing: Step 1160092. . .done
[17:04:04] Checkpointing: Step 1183379. . .done
[17:14:45] Step: 1200000
[17:14:45] Checkpointing: Step 1200000. . .done
[17:14:45] Step : 1200000, Time :      1.200 [ns], TE :   -2931.2494 [kcal/mol], T :   325.9194 [K], V :    139501.40 [AA^3]
[17:19:05] Checkpointing: Step 1206802. . .done
[17:34:06] Checkpointing: Step 1230221. . .done
[17:46:57] Step: 1250000
[17:46:57] Checkpointing: Step 1250000. . .done
[17:46:57] Step : 1250000, Time :      1.250 [ns], TE :   -2986.5417 [kcal/mol], T :   296.2390 [K], V :    144031.00 [AA^3]
[17:49:07] Checkpointing: Step 1253312. . .done
[18:04:08] Checkpointing: Step 1276687. . .done
[18:19:09] Checkpointing: Step 1299779. . .done
[18:19:17] Step: 1300000
[18:19:17] Checkpointing: Step 1300000. . .done
[18:19:17] Step : 1300000, Time :      1.300 [ns], TE :   -2991.4259 [kcal/mol], T :   307.6746 [K], V :    144734.54 [AA^3]
[18:34:10] Checkpointing: Step 1322969. . .done
[18:49:11] Checkpointing: Step 1346296. . .done
[18:51:35] Step: 1350000
[18:51:35] Checkpointing: Step 1350000. . .done
[18:51:35] Step : 1350000, Time :      1.350 [ns], TE :   -2975.4730 [kcal/mol], T :   297.4232 [K], V :    146655.13 [AA^3]
[19:04:12] Checkpointing: Step 1369591. . .done
[19:19:13] Checkpointing: Step 1392632. . .done
[19:23:57] Step: 1400000
[19:23:57] Checkpointing: Step 1400000. . .done
[19:23:57] Step : 1400000, Time :      1.400 [ns], TE :   -3045.9520 [kcal/mol], T :   294.8516 [K], V :    145359.74 [AA^3]
[19:34:14] Checkpointing: Step 1416079. . .done
[19:49:15] Checkpointing: Step 1439663. . .done
[19:55:59] Step: 1450000
[19:55:59] Checkpointing: Step 1450000. . .done
[19:55:59] Step : 1450000, Time :      1.450 [ns], TE :   -2958.8521 [kcal/mol], T :   321.2656 [K], V :    138172.89 [AA^3]
[20:04:16] Checkpointing: Step 1462745. . .done
[20:19:17] Checkpointing: Step 1485781. . .done
[20:28:38] Step: 1500000
[20:28:38] Checkpointing: Step 1500000. . .done
[20:28:38] Step : 1500000, Time :      1.500 [ns], TE :   -3001.1100 [kcal/mol], T :   291.8114 [K], V :    130343.34 [AA^3]
[20:34:18] Checkpointing: Step 1508706. . .done
[20:49:19] Checkpointing: Step 1531781. . .done
[21:01:23] Step: 1550000
[21:01:23] Checkpointing: Step 1550000. . .done
[21:01:23] Step : 1550000, Time :      1.550 [ns], TE :   -2989.0621 [kcal/mol], T :   310.6930 [K], V :    143202.20 [AA^3]
[21:04:20] Checkpointing: Step 1554491. . .done
[21:19:21] Checkpointing: Step 1577755. . .done
[21:33:40] Step: 1600000
[21:33:40] Checkpointing: Step 1600000. . .done
[21:33:40] Step : 1600000, Time :      1.600 [ns], TE :   -3009.2316 [kcal/mol], T :   293.5930 [K], V :    138257.16 [AA^3]
[21:34:22] Checkpointing: Step 1601126. . .done
[21:49:23] Checkpointing: Step 1623903. . .done
[22:04:24] Checkpointing: Step 1646850. . .done
[22:06:32] Step: 1650000
[22:06:32] Checkpointing: Step 1650000. . .done
[22:06:32] Step : 1650000, Time :      1.650 [ns], TE :   -2975.5288 [kcal/mol], T :   303.4940 [K], V :    135329.17 [AA^3]
[22:19:25] Checkpointing: Step 1670129. . .done
[22:34:26] Checkpointing: Step 1693190. . .done
[22:38:51] Step: 1700000
[22:38:51] Checkpointing: Step 1700000. . .done
[22:38:51] Step : 1700000, Time :      1.700 [ns], TE :   -3016.7920 [kcal/mol], T :   299.2767 [K], V :    131560.44 [AA^3]
[22:49:27] Checkpointing: Step 1716487. . .done
[23:04:28] Checkpointing: Step 1738861. . .done
[23:11:37] Step: 1750000
[23:11:37] Checkpointing: Step 1750000. . .done
[23:11:37] Step : 1750000, Time :      1.750 [ns], TE :   -2975.5520 [kcal/mol], T :   289.9344 [K], V :    137440.38 [AA^3]
[23:19:29] Checkpointing: Step 1762026. . .done
[23:34:30] Checkpointing: Step 1784710. . .done
[23:44:39] Step: 1800000
[23:44:39] Checkpointing: Step 1800000. . .done
[23:44:39] Step : 1800000, Time :      1.800 [ns], TE :   -3003.8055 [kcal/mol], T :   294.9420 [K], V :    136834.56 [AA^3]
[23:49:31] Checkpointing: Step 1807448. . .done
[00:04:32] Checkpointing: Step 1829909. . .done
[00:18:12] Step: 1850000
[00:18:12] Checkpointing: Step 1850000. . .done
[00:18:13] Step : 1850000, Time :      1.850 [ns], TE :   -2961.1923 [kcal/mol], T :   309.3950 [K], V :    136702.86 [AA^3]
[00:19:33] Checkpointing: Step 1851958. . .done
[00:34:34] Checkpointing: Step 1874744. . .done
[00:49:35] Checkpointing: Step 1896764. . .done
[00:51:45] Step: 1900000
[00:51:45] Checkpointing: Step 1900000. . .done
[00:51:45] Step : 1900000, Time :      1.900 [ns], TE :   -2992.8868 [kcal/mol], T :   299.7611 [K], V :    134846.69 [AA^3]
[01:04:36] Checkpointing: Step 1918991. . .done
[01:19:37] Checkpointing: Step 1941312. . .done
[01:25:30] Step: 1950000
[01:25:30] Checkpointing: Step 1950000. . .done
[01:25:30] Step : 1950000, Time :      1.950 [ns], TE :   -3010.4870 [kcal/mol], T :   292.6279 [K], V :    132025.85 [AA^3]
[01:34:38] Checkpointing: Step 1962932. . .done

--- Opening Log file [October 10 02:05:33]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6

[02:05:33] - Ask before connecting: No
[02:05:33] - User name: Anonymous (Team 0)
[02:05:33] - User ID: 49C28ACC224606E8
[02:05:33] - Machine ID: 2
[02:05:33] 
[02:05:34] Loaded queue successfully.
[02:05:34] Deleting incompletely fetched item (4) from queue position #3
[02:05:34] - Preparing to get new work unit...
[02:05:34] + Attempting to get work packet
[02:05:34] - Connecting to assignment server
[02:05:34] + Could not connect to Assignment Server
[02:05:34] + Could not connect to Assignment Server 2
[02:05:34] + Couldn't get work instructions.
[02:05:34] - Attempt #1  to get work failed, and no other work to do.
             Waiting before retry.
[02:05:42] + Attempting to get work packet
[02:05:42] - Connecting to assignment server
[02:05:42] + Could not connect to Assignment Server
[02:05:42] + Could not connect to Assignment Server 2
[02:05:42] + Couldn't get work instructions.
[02:05:42] - Attempt #2  to get work failed, and no other work to do.
             Waiting before retry.

--- Opening Log file [October 13 15:12:04]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6

[15:12:04] - Ask before connecting: No
[15:12:04] - User name: Anonymous (Team 0)
[15:12:04] - User ID: 49C28ACC224606E8
[15:12:04] - Machine ID: 2
[15:12:04] 
[15:12:04] Loaded queue successfully.
[15:12:04] - Preparing to get new work unit...
[15:12:04] + Attempting to get work packet
[15:12:04] - Connecting to assignment server
[15:12:04] + Could not connect to Assignment Server
[15:12:04] + Could not connect to Assignment Server 2
[15:12:04] + Couldn't get work instructions.
[15:12:04] - Attempt #1  to get work failed, and no other work to do.
             Waiting before retry.
[15:12:17] + Attempting to get work packet
[15:12:17] - Connecting to assignment server
[15:12:17] + Could not connect to Assignment Server
[15:12:17] + Could not connect to Assignment Server 2
[15:12:17] + Couldn't get work instructions.
[15:12:17] - Attempt #2  to get work failed, and no other work to do.
             Waiting before retry.
[15:12:35] + Attempting to get work packet
[15:12:35] - Connecting to assignment server
[15:12:35] + Could not connect to Assignment Server
[15:12:35] + Could not connect to Assignment Server 2
[15:12:35] + Couldn't get work instructions.
[15:12:35] - Attempt #3  to get work failed, and no other work to do.
             Waiting before retry.
[15:13:02] + Attempting to get work packet
[15:13:02] - Connecting to assignment server
[15:13:02] + Could not connect to Assignment Server
[15:13:02] + Could not connect to Assignment Server 2
[15:13:02] + Couldn't get work instructions.
[15:13:02] - Attempt #4  to get work failed, and no other work to do.
             Waiting before retry.
[15:13:47] + Attempting to get work packet
[15:13:47] - Connecting to assignment server
[15:13:47] + No appropriate work server was available; will try again in a bit.
[15:13:47] + Couldn't get work instructions.
[15:13:47] - Attempt #5  to get work failed, and no other work to do.
             Waiting before retry.
[15:15:16] + Attempting to get work packet
[15:15:16] - Connecting to assignment server
[15:15:16] - Successful: assigned to (129.74.85.48).
[15:15:16] + News From Folding@Home: Welcome to Folding@Home
[15:15:16] Loaded queue successfully.
[15:15:17] + Closed connections
[15:15:17] 
[15:15:17] + Processing work unit
[15:15:17] Core required: FahCore_b4.exe
[15:15:17] Core not found.
[15:15:17] - Core is not present or corrupted.
[15:15:17] - Attempting to download new core...
[15:15:17] + Downloading new core: FahCore_b4.exe
[15:15:17] + 10240 bytes downloaded
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[15:15:19] Verifying core Core_b4.fah...
[15:15:19] Signature is VALID
[15:15:19] 
[15:15:19] Trying to unzip core FahCore_b4.exe
[15:15:20] Decompressed FahCore_b4.exe (7260868 bytes) successfully
[15:15:20] + Core successfully engaged
[15:15:25] 
[15:15:25] + Processing work unit
[15:15:25] Core required: FahCore_b4.exe
[15:15:25] Core found.
[15:15:25] Working on Unit 03 [October 13 15:15:25]
[15:15:25] + Working ...
[15:15:25] ******* Log Started 13/Oct/2009 08:15:25 *******
[15:15:25] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2794 -version 602 
[15:15:25]                type 1000
[15:15:25]           core_type 180
[15:15:25]            core_ver 0
[15:15:25]    compression_type 1
[15:15:25]           checkbits b21989bd-27ab2307-bd174ca7-4f648c2a-cee857b2
[15:15:25]                 run 4104
[15:15:25]               clone 0
[15:15:25]                 gen 1
[15:15:25]             user_id 0x00000000000000000000000000000000
[15:15:25]             work_id 0x00000000000132994aa6ec180000101c
[15:15:25]             mach_id 2
[15:15:25]           data_size 414208
[15:15:25]     compressed_size 65584
[15:15:25]       data_checksum 9e74ff3f-9d1f613a-ee68c321-267e0b93-d59790bd
[15:15:25]          project_id 1031
[15:15:25] Reading tar file checkpt
[15:15:25] Reading tar file ww_exteq_nowater1.49.pos
[15:15:25] Reading tar file ww_exteq_nowater1.49.vel
[15:15:25] Reading tar file protomol.conf
[15:15:25] Reading tar file par_all27_prot_lipid.inp
[15:15:25] Reading tar file scpismQuartic.inp
[15:15:25] Reading tar file ww_exteq_nowater1.pdb
[15:15:25] Reading tar file ww_exteq_nowater1.psf
[15:15:25] Digital signatures verified
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[15:15:26]                 component based framework.
[15:15:26]        Version: 3.1
[15:15:26]   SVN revision: 1698
[15:15:26]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[15:15:26]       Homepage: http://protomol.sourceforge.net/
[15:15:26] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[15:15:26]       Compiler: g++ 4.1.2
[15:15:26]          Flags: 
[15:15:26]     Extra libs: 
[15:15:26]       Built by: buildbot
[15:15:26] Build platform: posix
[15:15:26]     Build date: Oct  7 2009, 09:10:13
[15:15:26]   Checksumming: Enabled for Folding@Home file protection.
[15:15:26]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[15:15:26]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[15:15:26]                 An object-oriented framework for prototyping novel algorithms
[15:15:26]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[15:15:26]                 2004.
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:15:26] Recoverable Error:  Ignoring: Gui false
[15:15:26] !Checkpoint File!
[15:15:26] Reading checkpoint
[15:15:26] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[15:15:26] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[15:15:26] Using PSF file 'ww_exteq_nowater1.psf' (544).
[15:15:26] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[15:15:26] Using SCPISM file 'scpismQuartic.inp'.
[15:15:26] SCPISM: doSCPISM set to 4.
[15:15:26] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[15:15:26] !Checkpoint File!
[15:15:26] Removed linear momentum : (1.97399,-0.189549,-0.907717)
[15:15:26] Removed angular momentum : (17.9668,-12.0813,5.25521)
[15:15:26] Actual start temperature : 268.374K
[15:15:26] Virial tensor : false
[15:15:26] Molecular virial tensor : false
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[15:15:26] Output DCDFile ww.d49.dcd 500 false.
[15:15:26] Output FAHFile ../current.xyz 50000.
[15:15:26] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[15:15:26] Output Screen true 50000.
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[15:15:26]   Level 0 LangevinLeapfrog {
[15:15:26]       timestep 1
[15:15:26]       temperature 300
[15:15:26]       gamma 91
[15:15:26]       seed 3591
[15:15:26]     Force Improper
[15:15:26]     Force Dihedral
[15:15:26]     Force Bond
[15:15:26]     Force Angle
[15:15:26]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:15:26]       -switchon 15	 # C2 swf switch on
[15:15:26]       -cutoff 20	 # C2 swf cutoff
[15:15:26]       -D 80	 # Bulk solvent dielectric
[15:15:26]       -switchon 8	 # C2 swf switch on
[15:15:26]       -cutoff 20	 # C2 swf cutoff
[15:15:26]       -bornswitch 3	 # Born Switch type
[15:15:26]       -cutoff 5	 # cutoff swf cutoff
[15:15:26]       -cutoff 20	 # algorithm cutoff
[15:15:26]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:15:26]       -bornswitch 3	 # Born Switch type
[15:15:26]       -D 80	 # Bulk solvent dielectric constant.
[15:15:26]       -cutoff 5	 # cutoff swf cutoff
[15:15:26]       -cutoff 5	 # algorithm cutoff
[15:15:26]   }
[15:15:26] }
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[15:15:26] AtomTypes            : 32
[15:15:26] Bonds                : 553
[15:15:26] Angles               : 989
[15:15:26] Dihedrals            : 1460 (1529)
[15:15:26] Impropers            : 90
[15:15:26] Molecules            : 1
[15:15:26] Water                : 0
[15:15:26] Pairs                : 724
[15:15:26] Degree of freedom    : 1629
[15:15:26] Molecule pair dist's : true
[15:15:26] Exclusion pairs      : 2962
[15:15:26] Max exclusion dist   : 26
[15:15:26] Time                 : 1000000
[15:15:26] CellManager          : Cubic
[15:15:26] BoundaryConditions   : Vacuum orthogonal
[15:15:26] coulombScalingFactor : 1
[15:15:26] exclude              : scaled1-4
[15:15:26] cellSize             : 5
[15:15:26] Atom density         : 0.00471697538409458
[15:15:26] Atom/cell            : 0.589621923011823
[15:15:26] Real cell size       : (5,5,5)
[15:15:26] Cell dimension       : (11,10,10)
[15:15:26] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[15:15:26] Particle             : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[15:15:26] Particle extended    : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[15:15:26] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:15:26] Step : 1000000, Time :      1.000 [ns], TE :   -3039.5182 [kcal/mol], T :   268.3736 [K], V :    115328.14 [AA^3]
[15:30:26] Checkpointing: Step 1023194. . .done
[15:45:27] Checkpointing: Step 1044966. . .done
[15:49:01] Step: 1050000
[15:49:01] Checkpointing: Step 1050000. . .done
[15:49:01] Step : 1050000, Time :      1.050 [ns], TE :   -3005.1902 [kcal/mol], T :   304.1025 [K], V :    116278.84 [AA^3]
[16:00:28] Checkpointing: Step 1065203. . .done
[16:15:29] Checkpointing: Step 1086496. . .done
[16:24:14] Step: 1100000
[16:24:14] Checkpointing: Step 1100000. . .done
[16:24:14] Step : 1100000, Time :      1.100 [ns], TE :   -2953.9450 [kcal/mol], T :   319.6784 [K], V :    119001.52 [AA^3]
[16:30:30] Checkpointing: Step 1109780. . .done
[16:45:31] Checkpointing: Step 1133151. . .done
[16:56:26] Step: 1150000
[16:56:26] Checkpointing: Step 1150000. . .done
[16:56:26] Step : 1150000, Time :      1.150 [ns], TE :   -2993.6157 [kcal/mol], T :   310.6230 [K], V :    120072.69 [AA^3]
[17:00:32] Checkpointing: Step 1156336. . .done

--- Opening Log file [October 14 04:58:39]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6

[04:58:39] - Ask before connecting: No
[04:58:39] - User name: Anonymous (Team 0)
[04:58:39] - User ID: 49C28ACC224606E8
[04:58:39] - Machine ID: 2
[04:58:39] 
[04:58:40] Loaded queue successfully.
[04:58:40] 
[04:58:40] + Processing work unit
[04:58:40] Core required: FahCore_b4.exe
[04:58:40] Core found.
[04:58:40] Working on Unit 03 [October 14 04:58:40]
[04:58:40] + Working ...
[04:58:40] ******* Log Started 13/Oct/2009 21:58:40 *******
[04:58:40] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2964 -version 602 
[04:58:41]                type 1000
[04:58:41]           core_type 180
[04:58:41]            core_ver 0
[04:58:41]    compression_type 1
[04:58:41]           checkbits b21989bd-27ab2307-bd174ca7-4f648c2a-cee857b2
[04:58:41]                 run 4104
[04:58:41]               clone 0
[04:58:41]                 gen 1
[04:58:41]             user_id 0x00000000000000000000000000000000
[04:58:41]             work_id 0x00000000000132994aa6ec180000101c
[04:58:41]             mach_id 2
[04:58:41]           data_size 414208
[04:58:41]     compressed_size 65584
[04:58:41]       data_checksum 9e74ff3f-9d1f613a-ee68c321-267e0b93-d59790bd
[04:58:41]          project_id 1031
[04:58:41] Reading tar file checkpt
[04:58:41] Reading tar file ww_exteq_nowater1.49.pos
[04:58:41] Reading tar file ww_exteq_nowater1.49.vel
[04:58:41] Reading tar file protomol.conf
[04:58:41] Reading tar file par_all27_prot_lipid.inp
[04:58:41] Reading tar file scpismQuartic.inp
[04:58:41] Reading tar file ww_exteq_nowater1.pdb
[04:58:41] Reading tar file ww_exteq_nowater1.psf
[04:58:41] Digital signatures verified
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[04:58:41]                 component based framework.
[04:58:41]        Version: 3.1
[04:58:41]   SVN revision: 1698
[04:58:41]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[04:58:41]       Homepage: http://protomol.sourceforge.net/
[04:58:41] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[04:58:41]       Compiler: g++ 4.1.2
[04:58:41]          Flags: 
[04:58:41]     Extra libs: 
[04:58:41]       Built by: buildbot
[04:58:41] Build platform: posix
[04:58:41]     Build date: Oct  7 2009, 09:10:13
[04:58:41]   Checksumming: Enabled for Folding@Home file protection.
[04:58:41]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[04:58:41]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[04:58:41]                 An object-oriented framework for prototyping novel algorithms
[04:58:41]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[04:58:41]                 2004.
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[04:58:41] Recoverable Error:  Ignoring: Gui false
[04:58:41] !Checkpoint File!
[04:58:41] Reading checkpoint
[04:58:41] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[04:58:41] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[04:58:41] Using PSF file 'ww_exteq_nowater1.psf' (544).
[04:58:41] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[04:58:41] Using SCPISM file 'scpismQuartic.inp'.
[04:58:41] SCPISM: doSCPISM set to 4.
[04:58:41] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[04:58:41] !Checkpoint File!
[04:58:41] Removed linear momentum : (1.97399,-0.189549,-0.907717)
[04:58:41] Removed angular momentum : (17.9668,-12.0813,5.25521)
[04:58:41] Actual start temperature : 268.374K
[04:58:41] Virial tensor : false
[04:58:41] Molecular virial tensor : false
[04:58:41] Exception in 0: @ fah/net/Socket.cpp:137:bind 0: Could not bind socket to 0.0.0.0:52753: Address already in use
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[04:58:41] Output DCDFile ww.d49.dcd 500 false.
[04:58:41] Output FAHFile ../current.xyz 50000.
[04:58:41] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[04:58:41] Output Screen true 50000.
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[04:58:41]   Level 0 LangevinLeapfrog {
[04:58:41]       timestep 1
[04:58:41]       temperature 300
[04:58:41]       gamma 91
[04:58:41]       seed 3591
[04:58:41]     Force Improper
[04:58:41]     Force Dihedral
[04:58:41]     Force Bond
[04:58:41]     Force Angle
[04:58:41]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[04:58:41]       -switchon 15	 # C2 swf switch on
[04:58:41]       -cutoff 20	 # C2 swf cutoff
[04:58:41]       -D 80	 # Bulk solvent dielectric
[04:58:41]       -switchon 8	 # C2 swf switch on
[04:58:41]       -cutoff 20	 # C2 swf cutoff
[04:58:41]       -bornswitch 3	 # Born Switch type
[04:58:41]       -cutoff 5	 # cutoff swf cutoff
[04:58:41]       -cutoff 20	 # algorithm cutoff
[04:58:41]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[04:58:41]       -bornswitch 3	 # Born Switch type
[04:58:41]       -D 80	 # Bulk solvent dielectric constant.
[04:58:41]       -cutoff 5	 # cutoff swf cutoff
[04:58:41]       -cutoff 5	 # algorithm cutoff
[04:58:41]   }
[04:58:41] }
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[04:58:41] AtomTypes            : 32
[04:58:41] Bonds                : 553
[04:58:41] Angles               : 989
[04:58:41] Dihedrals            : 1460 (1529)
[04:58:41] Impropers            : 90
[04:58:41] Molecules            : 1
[04:58:41] Water                : 0
[04:58:41] Pairs                : 724
[04:58:41] Degree of freedom    : 1629
[04:58:41] Molecule pair dist's : true
[04:58:41] Exclusion pairs      : 2962
[04:58:41] Max exclusion dist   : 26
[04:58:41] Time                 : 1000000
[04:58:41] CellManager          : Cubic
[04:58:41] BoundaryConditions   : Vacuum orthogonal
[04:58:41] coulombScalingFactor : 1
[04:58:41] exclude              : scaled1-4
[04:58:41] cellSize             : 5
[04:58:41] Atom density         : 0.00471697538409458
[04:58:41] Atom/cell            : 0.589621923011823
[04:58:41] Real cell size       : (5,5,5)
[04:58:41] Cell dimension       : (11,10,10)
[04:58:41] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[04:58:41] Particle             : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[04:58:41] Particle extended    : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[04:58:41] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[04:58:41] Step : 1000000, Time :      1.000 [ns], TE :   -3039.5182 [kcal/mol], T :   268.3736 [K], V :    115328.14 [AA^3]

--- Opening Log file [October 14 05:50:43]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6

[05:50:43] - Ask before connecting: No
[05:50:43] - User name: Anonymous (Team 0)
[05:50:43] - User ID: 49C28ACC224606E8
[05:50:43] - Machine ID: 2
[05:50:43] 
[05:50:43] Loaded queue successfully.
[05:50:43] 
[05:50:43] + Processing work unit
[05:50:43] Core required: FahCore_b4.exe
[05:50:43] Core found.
[05:50:43] Working on Unit 03 [October 14 05:50:43]
[05:50:43] + Working ...
[05:50:44] ******* Log Started 13/Oct/2009 22:50:44 *******
[05:50:44] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 2949 -version 602 
[05:50:44]                type 1000
[05:50:44]           core_type 180
[05:50:44]            core_ver 0
[05:50:44]    compression_type 1
[05:50:44]           checkbits b21989bd-27ab2307-bd174ca7-4f648c2a-cee857b2
[05:50:44]                 run 4104
[05:50:44]               clone 0
[05:50:44]                 gen 1
[05:50:44]             user_id 0x00000000000000000000000000000000
[05:50:44]             work_id 0x00000000000132994aa6ec180000101c
[05:50:44]             mach_id 2
[05:50:44]           data_size 414208
[05:50:44]     compressed_size 65584
[05:50:44]       data_checksum 9e74ff3f-9d1f613a-ee68c321-267e0b93-d59790bd
[05:50:44]          project_id 1031
[05:50:44] Reading tar file checkpt
[05:50:44] Reading tar file ww_exteq_nowater1.49.pos
[05:50:44] Reading tar file ww_exteq_nowater1.49.vel
[05:50:44] Reading tar file protomol.conf
[05:50:44] Reading tar file par_all27_prot_lipid.inp
[05:50:44] Reading tar file scpismQuartic.inp
[05:50:44] Reading tar file ww_exteq_nowater1.pdb
[05:50:44] Reading tar file ww_exteq_nowater1.psf
[05:50:44] Digital signatures verified
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[05:50:44]                 component based framework.
[05:50:44]        Version: 3.1
[05:50:44]   SVN revision: 1698
[05:50:44]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[05:50:44]       Homepage: http://protomol.sourceforge.net/
[05:50:44] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[05:50:44]       Compiler: g++ 4.1.2
[05:50:44]          Flags: 
[05:50:44]     Extra libs: 
[05:50:44]       Built by: buildbot
[05:50:44] Build platform: posix
[05:50:44]     Build date: Oct  7 2009, 09:10:13
[05:50:44]   Checksumming: Enabled for Folding@Home file protection.
[05:50:44]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[05:50:44]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[05:50:44]                 An object-oriented framework for prototyping novel algorithms
[05:50:44]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[05:50:44]                 2004.
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[05:50:44] Recoverable Error:  Ignoring: Gui false
[05:50:44] !Checkpoint File!
[05:50:44] Reading checkpoint
[05:50:44] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[05:50:44] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[05:50:44] Using PSF file 'ww_exteq_nowater1.psf' (544).
[05:50:44] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[05:50:44] Using SCPISM file 'scpismQuartic.inp'.
[05:50:44] SCPISM: doSCPISM set to 4.
[05:50:44] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[05:50:44] !Checkpoint File!
[05:50:44] Removed linear momentum : (1.97399,-0.189549,-0.907717)
[05:50:44] Removed angular momentum : (17.9668,-12.0813,5.25521)
[05:50:44] Actual start temperature : 268.374K
[05:50:44] Virial tensor : false
[05:50:44] Molecular virial tensor : false
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[05:50:44] Output DCDFile ww.d49.dcd 500 false.
[05:50:44] Output FAHFile ../current.xyz 50000.
[05:50:44] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[05:50:44] Output Screen true 50000.
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[05:50:44]   Level 0 LangevinLeapfrog {
[05:50:44]       timestep 1
[05:50:44]       temperature 300
[05:50:44]       gamma 91
[05:50:44]       seed 3591
[05:50:44]     Force Improper
[05:50:44]     Force Dihedral
[05:50:44]     Force Bond
[05:50:44]     Force Angle
[05:50:44]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[05:50:44]       -switchon 15	 # C2 swf switch on
[05:50:44]       -cutoff 20	 # C2 swf cutoff
[05:50:44]       -D 80	 # Bulk solvent dielectric
[05:50:44]       -switchon 8	 # C2 swf switch on
[05:50:44]       -cutoff 20	 # C2 swf cutoff
[05:50:44]       -bornswitch 3	 # Born Switch type
[05:50:44]       -cutoff 5	 # cutoff swf cutoff
[05:50:44]       -cutoff 20	 # algorithm cutoff
[05:50:44]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[05:50:44]       -bornswitch 3	 # Born Switch type
[05:50:44]       -D 80	 # Bulk solvent dielectric constant.
[05:50:44]       -cutoff 5	 # cutoff swf cutoff
[05:50:44]       -cutoff 5	 # algorithm cutoff
[05:50:44]   }
[05:50:44] }
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[05:50:44] AtomTypes            : 32
[05:50:44] Bonds                : 553
[05:50:44] Angles               : 989
[05:50:44] Dihedrals            : 1460 (1529)
[05:50:44] Impropers            : 90
[05:50:44] Molecules            : 1
[05:50:44] Water                : 0
[05:50:44] Pairs                : 724
[05:50:44] Degree of freedom    : 1629
[05:50:44] Molecule pair dist's : true
[05:50:44] Exclusion pairs      : 2962
[05:50:44] Max exclusion dist   : 26
[05:50:44] Time                 : 1000000
[05:50:44] CellManager          : Cubic
[05:50:44] BoundaryConditions   : Vacuum orthogonal
[05:50:44] coulombScalingFactor : 1
[05:50:44] exclude              : scaled1-4
[05:50:44] cellSize             : 5
[05:50:44] Atom density         : 0.00471697538409458
[05:50:44] Atom/cell            : 0.589621923011823
[05:50:44] Real cell size       : (5,5,5)
[05:50:44] Cell dimension       : (11,10,10)
[05:50:44] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[05:50:44] Particle             : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[05:50:44] Particle extended    : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[05:50:44] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[05:50:44] Step : 1000000, Time :      1.000 [ns], TE :   -3039.5182 [kcal/mol], T :   268.3736 [K], V :    115328.14 [AA^3]

--- Opening Log file [October 14 15:03:56]

# Linux Console Edition #######################################################
###############################################################################

Folding@Home Client Version 6.02

http://folding.stanford.edu

###############################################################################
###############################################################################

Launch directory: /var/lib/origami/foldingathome/CPU2
Executable: /var/lib/origami/foldingathome/CPU2/fah6

[15:03:56] - Ask before connecting: No
[15:03:56] - User name: Anonymous (Team 0)
[15:03:56] - User ID: 49C28ACC224606E8
[15:03:56] - Machine ID: 2
[15:03:56] 
[15:03:56] Loaded queue successfully.
[15:03:56] 
[15:03:56] + Processing work unit
[15:03:56] Core required: FahCore_b4.exe
[15:03:56] Core found.
[15:03:56] Working on Unit 03 [October 14 15:03:56]
[15:03:56] + Working ...
[15:03:56] ******* Log Started 14/Oct/2009 08:03:56 *******
[15:03:56] Core command line: ./FahCore_b4.exe -dir work/ -suffix 03 -checkpoint 15 -lifeline 30815 -version 602 
[15:03:56]                type 1000
[15:03:56]           core_type 180
[15:03:56]            core_ver 0
[15:03:56]    compression_type 1
[15:03:56]           checkbits b21989bd-27ab2307-bd174ca7-4f648c2a-cee857b2
[15:03:56]                 run 4104
[15:03:56]               clone 0
[15:03:56]                 gen 1
[15:03:56]             user_id 0x00000000000000000000000000000000
[15:03:56]             work_id 0x00000000000132994aa6ec180000101c
[15:03:56]             mach_id 2
[15:03:56]           data_size 414208
[15:03:56]     compressed_size 65584
[15:03:56]       data_checksum 9e74ff3f-9d1f613a-ee68c321-267e0b93-d59790bd
[15:03:56]          project_id 1031
[15:03:56] Reading tar file checkpt
[15:03:56] Reading tar file ww_exteq_nowater1.49.pos
[15:03:56] Reading tar file ww_exteq_nowater1.49.vel
[15:03:56] Reading tar file protomol.conf
[15:03:56] Reading tar file par_all27_prot_lipid.inp
[15:03:56] Reading tar file scpismQuartic.inp
[15:03:56] Reading tar file ww_exteq_nowater1.pdb
[15:03:56] Reading tar file ww_exteq_nowater1.psf
[15:03:56] Digital signatures verified
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+   Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[15:03:56]                 component based framework.
[15:03:56]        Version: 3.1
[15:03:56]   SVN revision: 1698
[15:03:56]     Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[15:03:56]       Homepage: http://protomol.sourceforge.net/
[15:03:56] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[15:03:56]       Compiler: g++ 4.1.2
[15:03:56]          Flags: 
[15:03:56]     Extra libs: 
[15:03:56]       Built by: buildbot
[15:03:56] Build platform: posix
[15:03:56]     Build date: Oct  7 2009, 09:10:13
[15:03:56]   Checksumming: Enabled for Folding@Home file protection.
[15:03:56]    Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[15:03:56]                 Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[15:03:56]                 An object-oriented framework for prototyping novel algorithms
[15:03:56]                 for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[15:03:56]                 2004.
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:03:56] Recoverable Error:  Ignoring: Gui false
[15:03:56] !Checkpoint File!
[15:03:56] Reading checkpoint
[15:03:56] Using XYZ posfile 'ww_exteq_nowater1.49.pos' (544).
[15:03:56] Using XYZ velfile 'ww_exteq_nowater1.49.vel' (544).
[15:03:56] Using PSF file 'ww_exteq_nowater1.psf' (544).
[15:03:56] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[15:03:56] Using SCPISM file 'scpismQuartic.inp'.
[15:03:56] SCPISM: doSCPISM set to 4.
[15:03:56] Hint:  Reduced fast delta max of ExclusionTable from 31 to 26.
[15:03:56] !Checkpoint File!
[15:03:56] Removed linear momentum : (1.97399,-0.189549,-0.907717)
[15:03:56] Removed angular momentum : (17.9668,-12.0813,5.25521)
[15:03:56] Actual start temperature : 268.374K
[15:03:56] Virial tensor : false
[15:03:56] Molecular virial tensor : false
[15:03:56] Exception in 0: @ fah/net/Socket.cpp:137:bind 0: Could not bind socket to 0.0.0.0:52753: Address already in use
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 50 ww_exteq_nowater1. ww_exteq_nowater1..
[15:03:56] Output DCDFile ww.d49.dcd 500 false.
[15:03:56] Output FAHFile ../current.xyz 50000.
[15:03:56] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[15:03:56] Output Screen true 50000.
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[15:03:56]   Level 0 LangevinLeapfrog {
[15:03:56]       timestep 1
[15:03:56]       temperature 300
[15:03:56]       gamma 91
[15:03:56]       seed 3591
[15:03:56]     Force Improper
[15:03:56]     Force Dihedral
[15:03:56]     Force Bond
[15:03:56]     Force Angle
[15:03:56]     Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:03:56]       -switchon 15	 # C2 swf switch on
[15:03:56]       -cutoff 20	 # C2 swf cutoff
[15:03:56]       -D 80	 # Bulk solvent dielectric
[15:03:56]       -switchon 8	 # C2 swf switch on
[15:03:56]       -cutoff 20	 # C2 swf cutoff
[15:03:56]       -bornswitch 3	 # Born Switch type
[15:03:56]       -cutoff 5	 # cutoff swf cutoff
[15:03:56]       -cutoff 20	 # algorithm cutoff
[15:03:56]     Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[15:03:56]       -bornswitch 3	 # Born Switch type
[15:03:56]       -D 80	 # Bulk solvent dielectric constant.
[15:03:56]       -cutoff 5	 # cutoff swf cutoff
[15:03:56]       -cutoff 5	 # algorithm cutoff
[15:03:56]   }
[15:03:56] }
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms                : 544
[15:03:56] AtomTypes            : 32
[15:03:56] Bonds                : 553
[15:03:56] Angles               : 989
[15:03:56] Dihedrals            : 1460 (1529)
[15:03:56] Impropers            : 90
[15:03:56] Molecules            : 1
[15:03:56] Water                : 0
[15:03:56] Pairs                : 724
[15:03:56] Degree of freedom    : 1629
[15:03:56] Molecule pair dist's : true
[15:03:56] Exclusion pairs      : 2962
[15:03:56] Max exclusion dist   : 26
[15:03:56] Time                 : 1000000
[15:03:56] CellManager          : Cubic
[15:03:56] BoundaryConditions   : Vacuum orthogonal
[15:03:56] coulombScalingFactor : 1
[15:03:56] exclude              : scaled1-4
[15:03:56] cellSize             : 5
[15:03:56] Atom density         : 0.00471697538409458
[15:03:56] Atom/cell            : 0.589621923011823
[15:03:56] Real cell size       : (5,5,5)
[15:03:56] Cell dimension       : (11,10,10)
[15:03:56] Simulation box       : (-inf,-inf,-inf)-(inf,inf,inf) (inf,inf,inf)
[15:03:56] Particle             : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[15:03:56] Particle extended    : (-56.5046715205713,16.9266664791581,25.5303157254896)-(-4.28042614925628,64.2862502722427,72.1592231566233) (52.224245371315,47.3595837930846,46.6289074311337)
[15:03:56] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[15:03:56] Step : 1000000, Time :      1.000 [ns], TE :   -3039.5182 [kcal/mol], T :   268.3736 [K], V :    115328.14 [AA^3]
[15:18:57] Checkpointing: Step 1021946. . .done
[15:33:58] Checkpointing: Step 1044397. . .done
[15:37:36] Step: 1050000
[15:37:36] Checkpointing: Step 1050000. . .done
[15:37:36] Step : 1050000, Time :      1.050 [ns], TE :   -3005.1902 [kcal/mol], T :   304.1025 [K], V :    116278.84 [AA^3]
[15:48:59] Checkpointing: Step 1067957. . .done
[16:04:00] Checkpointing: Step 1091406. . .done
[16:09:29] Step: 1100000
[16:09:29] Checkpointing: Step 1100000. . .done
[16:09:29] Step : 1100000, Time :      1.100 [ns], TE :   -2953.9450 [kcal/mol], T :   319.6784 [K], V :    119001.52 [AA^3]
[16:19:01] Checkpointing: Step 1114723. . .done
[16:34:02] Checkpointing: Step 1137727. . .done
[16:41:58] Step: 1150000
[16:41:58] Checkpointing: Step 1150000. . .done
[16:41:58] Step : 1150000, Time :      1.150 [ns], TE :   -2993.6157 [kcal/mol], T :   310.6230 [K], V :    120072.69 [AA^3]
[16:49:03] Checkpointing: Step 1161127. . .done
[17:04:04] Checkpointing: Step 1184224. . .done
[17:14:20] Step: 1200000
[17:14:20] Checkpointing: Step 1200000. . .done
[17:14:20] Step : 1200000, Time :      1.200 [ns], TE :   -3017.5131 [kcal/mol], T :   300.1966 [K], V :    115730.54 [AA^3]
[17:19:05] Checkpointing: Step 1207254. . .done
[17:34:06] Checkpointing: Step 1230420. . .done
[17:46:51] Step: 1250000
[17:46:51] Checkpointing: Step 1250000. . .done
[17:46:51] Step : 1250000, Time :      1.250 [ns], TE :   -3004.1057 [kcal/mol], T :   297.0398 [K], V :    117719.02 [AA^3]
[17:49:07] Checkpointing: Step 1253463. . .done
[18:04:08] Checkpointing: Step 1275867. . .done
[18:19:09] Checkpointing: Step 1298715. . .done
[18:19:58] Step: 1300000
[18:19:58] Checkpointing: Step 1300000. . .done
[18:19:58] Step : 1300000, Time :      1.300 [ns], TE :   -3010.1261 [kcal/mol], T :   300.1892 [K], V :    123549.02 [AA^3]
[18:34:10] Checkpointing: Step 1322016. . .done
[18:49:11] Checkpointing: Step 1345363. . .done
[18:52:07] Step: 1350000
[18:52:07] Checkpointing: Step 1350000. . .done
[18:52:07] Step : 1350000, Time :      1.350 [ns], TE :   -3006.2939 [kcal/mol], T :   299.7886 [K], V :    126646.21 [AA^3]
[19:04:12] Checkpointing: Step 1368808. . .done
[19:19:13] Checkpointing: Step 1392296. . .done
[19:24:06] Step: 1400000
[19:24:06] Checkpointing: Step 1400000. . .done
[19:24:06] Step : 1400000, Time :      1.400 [ns], TE :   -2977.7394 [kcal/mol], T :   305.6096 [K], V :    119574.34 [AA^3]
[19:34:14] Checkpointing: Step 1415400. . .done
[19:49:15] Checkpointing: Step 1438310. . .done
[19:56:43] Step: 1450000
[19:56:43] Checkpointing: Step 1450000. . .done
[19:56:43] Step : 1450000, Time :      1.450 [ns], TE :   -3008.6528 [kcal/mol], T :   292.0104 [K], V :    109992.54 [AA^3]
[20:04:16] Checkpointing: Step 1461716. . .done
[20:19:17] Checkpointing: Step 1484644. . .done
[20:29:17] Step: 1500000
[20:29:17] Checkpointing: Step 1500000. . .done
[20:29:17] Step : 1500000, Time :      1.500 [ns], TE :   -3004.0779 [kcal/mol], T :   301.0281 [K], V :    120250.46 [AA^3]
[20:34:18] Checkpointing: Step 1507700. . .done
[20:49:19] Checkpointing: Step 1530694. . .done
[21:01:36] Step: 1550000
[21:01:36] Checkpointing: Step 1550000. . .done
[21:01:36] Step : 1550000, Time :      1.550 [ns], TE :   -2965.5506 [kcal/mol], T :   310.0059 [K], V :    120712.41 [AA^3]
[21:04:20] Checkpointing: Step 1554249. . .done
[21:19:21] Checkpointing: Step 1577430. . .done
[21:33:58] Step: 1600000
[21:33:58] Checkpointing: Step 1600000. . .done
[21:33:58] Step : 1600000, Time :      1.600 [ns], TE :   -3013.4955 [kcal/mol], T :   308.0556 [K], V :    117774.44 [AA^3]
[21:34:22] Checkpointing: Step 1600566. . .done
[21:49:23] Checkpointing: Step 1623816. . .done
[22:04:24] Checkpointing: Step 1647138. . .done
[22:06:13] Step: 1650000
[22:06:13] Checkpointing: Step 1650000. . .done
[22:06:13] Step : 1650000, Time :      1.650 [ns], TE :   -2962.2538 [kcal/mol], T :   310.2346 [K], V :    114189.99 [AA^3]
[22:19:25] Checkpointing: Step 1669965. . .done
[22:34:26] Checkpointing: Step 1693334. . .done
[22:38:46] Step: 1700000
[22:38:46] Checkpointing: Step 1700000. . .done
[22:38:46] Step : 1700000, Time :      1.700 [ns], TE :   -3047.7992 [kcal/mol], T :   285.6977 [K], V :    110335.37 [AA^3]
[22:49:27] Checkpointing: Step 1716140. . .done
[23:04:28] Checkpointing: Step 1739567. . .done
[23:11:27] Step: 1750000
[23:11:27] Checkpointing: Step 1750000. . .done
[23:11:27] Step : 1750000, Time :      1.750 [ns], TE :   -2980.3772 [kcal/mol], T :   310.1055 [K], V :    111280.35 [AA^3]
[23:19:29] Checkpointing: Step 1762107. . .done
[23:34:30] Checkpointing: Step 1785016. . .done
[23:44:08] Step: 1800000
[23:44:08] Checkpointing: Step 1800000. . .done
[23:44:08] Step : 1800000, Time :      1.800 [ns], TE :   -3001.0114 [kcal/mol], T :   300.8364 [K], V :    115805.41 [AA^3]
[23:49:31] Checkpointing: Step 1808332. . .done
[00:04:32] Checkpointing: Step 1831569. . .done
[00:16:30] Step: 1850000
[00:16:30] Checkpointing: Step 1850000. . .done
[00:16:30] Step : 1850000, Time :      1.850 [ns], TE :   -3028.8622 [kcal/mol], T :   303.5761 [K], V :    117162.03 [AA^3]
[00:19:33] Checkpointing: Step 1854781. . .done
[00:34:34] Checkpointing: Step 1877732. . .done
[00:48:55] Step: 1900000
[00:48:55] Checkpointing: Step 1900000. . .done
[00:48:55] Step : 1900000, Time :      1.900 [ns], TE :   -2993.2800 [kcal/mol], T :   287.9191 [K], V :    115666.56 [AA^3]
[00:49:35] Checkpointing: Step 1901006. . .done
[01:04:36] Checkpointing: Step 1923736. . .done
[01:19:37] Checkpointing: Step 1946657. . .done
[01:21:45] Step: 1950000
[01:21:45] Checkpointing: Step 1950000. . .done
[01:21:45] Step : 1950000, Time :      1.950 [ns], TE :   -3081.3855 [kcal/mol], T :   287.6402 [K], V :    110559.49 [AA^3]
[01:34:38] Checkpointing: Step 1969447. . .done

Revision history for this message

JLotspeich (jlotspeich34) wrote on 2009-10-15:

I was off on my initial time frame in my original post. I was working off of (often faulty) memory. Mea culpe.

Revision history for this message

Christer Edwards (christer.edwards) wrote on 2009-10-16: Re: [Bug 451340] Re: Completed work unit does not submit

On Wed, Oct 14, 2009 at 7:45 PM, JLotspeich <email address hidden> wrote:
> I was off on my initial time frame in my original post. I was working
> off of (often faulty) memory. Mea culpe.
>
> --
> Completed work unit does not submit
> https://bugs.launchpad.net/bugs/451340
> You received this bug notification because you are a direct subscriber
> of the bug.

I wasn't able to gather much from the FAHlog.txt unfortunately. Has
you been able to resolve this? Does restarting the client help "flush"
things out?

Christer

Revision history for this message

JLotspeich (jlotspeich34) wrote on 2009-10-16:

I restarted the client several times with no change, however
everything "unclogged" last night. Problem appears to have resolved
itself, but I don't know how or why.

James Lotspeich

On Oct 16, 2009, at 4:13 PM, Christer Edwards <<email address hidden>
> wrote:

> On Wed, Oct 14, 2009 at 7:45 PM, JLotspeich <email address hidden>
> wrote:
>> I was off on my initial time frame in my original post. I was
>> working
>> off of (often faulty) memory. Mea culpe.
>>
>> --
>> Completed work unit does not submit
>> https://bugs.launchpad.net/bugs/451340
>> You received this bug notification because you are a direct
>> subscriber
>> of the bug.
>
> I wasn't able to gather much from the FAHlog.txt unfortunately. Has
> you been able to resolve this? Does restarting the client help "flush"
> things out?
>
> Christer
>
> --
> Completed work unit does not submit
> https://bugs.launchpad.net/bugs/451340
> You received this bug notification because you are a direct subscriber
> of the bug.
>
> Status in origami: Incomplete
>
> Bug description:
> Origami status returns:
> #########################################
> current status of origami on yoda
> #########################################
>
> Starting of FAH client(s): OK
> Status of FAH client(s): OK
>
> Completed WU on CPU #1: 2
> Completed WU on CPU #2: 2
> Your Team: 0
> Your Username: Anonymous
>
> Current Work Unit
> -----------------
> Name: p4461_Seq52_Amber03
> Tag: P4461R308C3G36
> Download time: October 6 13:18:27
> Due time: December 8 13:18:27
> Progress: 100% [||||||||||]
> Current Work Unit
> -----------------
> Name: p6303_sh3_with_SER_frags
> Tag: P6303R234C1F55
> Download time: October 6 17:13:00
> Due time: November 27 17:13:00
> Progress: 100% [||||||||||]
>
>
> Progress on this work unit has been at 100% since 8 Oct. It is
> currently 14 Oct.
>
> I'm running Ubuntu Jaunty, kernal 2.6.15-generic, on an AMD64 X2
> architecture

Revision history for this message

Christer Edwards (christer.edwards) wrote on 2009-10-17:

until we can reliably duplicate this issue I'm marking it as Invalid.

Changed in origami:
status:	Incomplete → Invalid

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