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BlaBla High Tech » Nouveau core, nouveau log ? j'ai trouvé ça dans mon log
Le 13/10/2009 à 16h28

Neutron

Groupe: Membre

Inscrit le: 28/09/2009
Messages: 105
On y voit un affichage de ce qui semble être une sortie protomol.
Fahmon ne retrouve plus ses petits là-dedans.

[07:22:38] Signature is VALID
[07:22:38]
[07:22:38] Trying to unzip core FahCore_b4.exe
[07:22:38] Decompressed FahCore_b4.exe (3672064 bytes) successfully
[07:22:43] + Core successfully engaged
[07:22:48]
[07:22:48] + Processing work unit
[07:22:48] Core required: FahCore_b4.exe
[07:22:48] Core found.
[07:22:48] Working on queue slot 02 [October 13 07:22:48 UTC]
[07:22:48] + Working ...
[07:22:48] ******* Log Started 13/Oct/2009 09:22:48 *******
[07:22:48] Core command line: .\FahCore_b4.exe -dir work/ -suffix 02 -checkpoint 15 -lifeline 5684 -version 623
[07:22:48] type 1000
[07:22:48] core_type 180
[07:22:48] core_ver 0
[07:22:48] compression_type 1
[07:22:48] checkbits bf5928ac-5af77cd2-6d825ba7-dd024eba-43e1a64e
[07:22:48] run 4864
[07:22:48] clone 0
[07:22:48] gen 0
[07:22:48] user_id 0x00000000000000000000000000000000
[07:22:48] work_id 0x00000000000132994aa6ec4e00001304
[07:22:48] mach_id 3
[07:22:48] data_size 329216
[07:22:48] compressed_size 38144
[07:22:48] data_checksum c0f0c104-c3015e7e-95811728-b0eb48d9-9cbef6a2
[07:22:48] project_id 1031
[07:22:48] Reading tar file protomol.conf
[07:22:48] Reading tar file par_all27_prot_lipid.inp
[07:22:48] Reading tar file scpismQuartic.inp
[07:22:48] Reading tar file ww_exteq_nowater1.pdb
[07:22:48] Reading tar file ww_exteq_nowater1.psf
[07:22:48] Digital signatures verified
[07:22:48] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= ProtoMol +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Description: A rapid PROTOtyping MOLecular dynamics object-oriented
[07:22:48] component based framework.
[07:22:48] Version: 3.1
[07:22:48] SVN revision: 1698
[07:22:48] Repository: https://protomol.svn.sourceforge.net/svnroot/protomol/trunk/protomol
[07:22:48] Homepage: http://protomol.sourceforge.net/
[07:22:48] Report bugs to: protomol@cse.nd.edu, jcoffland@cauldrondevelopment.com
[07:22:48] Compiler: cl
[07:22:48] Flags: /nologo /TP
[07:22:48] Extra libs:
[07:22:48] Built by:
[07:22:48] Build platform: win32
[07:22:48] Build date: Oct 8 2009, 19:45:32
[07:22:48] Checksumming: Enabled for Folding@Home file protection.
[07:22:48] Please cite: T. Matthey, T. Cickovski, S. S. Hampton, A. Ko, Q. Ma, M.
[07:22:48] Nyerges, T. Raeder, T. Slabach, and J. A. Izaguirre. ProtoMol:
[07:22:48] An object-oriented framework for prototyping novel algorithms
[07:22:48] for molecular dynamics. ACM Trans. Math. Softw., 30(3):237 265,
[07:22:48] 2004.
[07:22:48] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[07:22:48] Recoverable Error: Ignoring: Gui false
[07:22:49] Using PDB posfile 'ww_exteq_nowater1.pdb' (544).
[07:22:49] Using temperature 300K for the velocities (544).
[07:22:49] Using PSF file 'ww_exteq_nowater1.psf' (544).
[07:22:49] Using PAR file 'par_all27_prot_lipid.inp', new charmm force field.
[07:22:49] Using SCPISM file 'scpismQuartic.inp'.
[07:22:49] SCPISM: doSCPISM set to 4.
[07:22:49] Hint: Reduced fast delta max of ExclusionTable from 31 to 26.
[07:22:49] Random temperature : 288.761K
[07:22:49] Removed linear momentum : (0.722103,0.860322,-0.340741)
[07:22:49] Removed angular momentum : (-23.806,8.81189,29.8327)
[07:22:49] Actual start temperature : 289.626K
[07:22:49] Virial tensor : false
[07:22:49] Molecular virial tensor : false
[07:22:49] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Outputs =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Output Checkpoint checkpt 50000 0 ww_exteq_nowater1. ww_exteq_nowater1..
[07:22:49] Output DCDFile ww.dcd 500 false.
[07:22:49] Output FAHFile ../current.xyz 50000.
[07:22:49] Output FAHGUI ProtoMol Project 1 52753 1 Protomol_3.0 0 false.
[07:22:49] Output Screen true 50000.
[07:22:49] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+ Integrator =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+integrator {
[07:22:49] Level 0 LangevinLeapfrog {
[07:22:49] timestep 1
[07:22:49] temperature 300
[07:22:49] gamma 91
[07:22:49] seed 1942
[07:22:49] Force Improper
[07:22:49] Force Dihedral
[07:22:49] Force Bond
[07:22:49] Force Angle
[07:22:49] Force LennardJones CoulombSCPISM BornRadii -switchingFunction C2 -switchingFunction C2 -switchingFunction Cutoff -algorithm NonbondedCutoff
[07:22:49] -switchon 15 # C2 swf switch on
[07:22:49] -cutoff 20 # C2 swf cutoff
[07:22:49] -D 80 # Bulk solvent dielectric
[07:22:49] -switchon 8 # C2 swf switch on
[07:22:49] -cutoff 20 # C2 swf cutoff
[07:22:49] -bornswitch 3 # Born Switch type
[07:22:49] -cutoff 5 # cutoff swf cutoff
[07:22:49] -cutoff 20 # algorithm cutoff
[07:22:49] Force BornSelf -switchingFunction Cutoff -algorithm NonbondedCutoff
[07:22:49] -bornswitch 3 # Born Switch type
[07:22:49] -D 80 # Bulk solvent dielectric constant.
[07:22:49] -cutoff 5 # cutoff swf cutoff
[07:22:49] -cutoff 5 # algorithm cutoff
[07:22:49] }
[07:22:49] }
[07:22:49] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+= Topology +=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+Atoms : 544
[07:22:49] AtomTypes : 32
[07:22:49] Bonds : 553
[07:22:49] Angles : 989
[07:22:49] Dihedrals : 1460 (1529)
[07:22:49] Impropers : 90
[07:22:49] Molecules : 1
[07:22:49] Water : 0
[07:22:49] Pairs : 724
[07:22:49] Degree of freedom : 1629
[07:22:49] Molecule pair dist's : true
[07:22:49] Exclusion pairs : 2962
[07:22:49] Max exclusion dist : 26
[07:22:49] Time : 0
[07:22:49] CellManager : Cubic
[07:22:49] BoundaryConditions : Vacuum orthogonal
[07:22:49] coulombScalingFactor : 1
[07:22:49] exclude : scaled1-4
[07:22:49] cellSize : 5
[07:22:49] Atom density : 0.00352248026312843
[07:22:49] Atom/cell : 0.440310032891054
[07:22:49] Real cell size : (5,5,5)
[07:22:49] Cell dimension : (12,11,11)
[07:22:49] Simulation box : (-1.#INF,-1.#INF,-1.#INF)-(1.#INF,1.#INF,1.#INF) (1.#INF,1.#INF,1.#INF)
[07:22:49] Particle : (-63.18,16.969,23.937)-(-5.439,68.229,76.115) (57.741,51.26,52.178)
[07:22:49] Particle extended : (-63.18,16.969,23.937)-(-5.439,68.229,76.115) (57.741,51.26,52.178)
[07:22:49] =+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+=+
[07:22:49] Step : 0, Time : 0.000 [ns], TE : -3112.4344 [kcal/mol], T : 289.6263 [K], V : 154436.64 [AA^3]
[07:37:49] Checkpointing: Step 37754. . .done
[07:42:40] Step: 50000
[07:42:40] Checkpointing: Step 50000. . .done
[07:42:40] Step : 50000, Time : 0.050 [ns], TE : -2972.9536 [kcal/mol], T : 292.3818 [K], V : 161169.25 [AA^3]
[07:52:50] Checkpointing: Step 75836. . .done
[08:02:19] Step: 100000
[08:02:19] Checkpointing: Step 100000. . .done
[08:02:19] Step : 100000, Time : 0.100 [ns], TE : -2977.5082 [kcal/mol], T : 296.7825 [K], V : 156403.08 [AA^3]
[08:07:51] Checkpointing: Step 113907. . .done
[08:22:12] Step: 150000
[08:22:12] Checkpointing: Step 150000. . .done
[08:22:12] Step : 150000, Time : 0.150 [ns], TE : -3005.3719 [kcal/mol], T : 304.1601 [K], V : 158290.43 [AA^3]
[08:22:52] Checkpointing: Step 151671. . .done
[08:37:53] Checkpointing: Step 189565. . .done
[08:42:00] Step: 200000
[08:42:00] Checkpointing: Step 200000. . .done
[08:42:01] Step : 200000, Time : 0.200 [ns], TE : -2972.2735 [kcal/mol], T : 291.2881 [K], V : 162416.66 [AA^3]
[08:52:54] Checkpointing: Step 227356. . .done
[09:01:58] Step: 250000
[09:01:58] Checkpointing: Step 250000. . .done
[09:01:58] Step : 250000, Time : 0.250 [ns], TE : -2913.6464 [kcal/mol], T : 313.6246 [K], V : 164932.91 [AA^3]
[09:07:55] Checkpointing: Step 264683. . .done
[09:21:28] Step: 300000
[09:21:28] Checkpointing: Step 300000. . .done
[09:21:28] Step : 300000, Time : 0.300 [ns], TE : -2944.9359 [kcal/mol], T : 317.4208 [K], V : 157418.71 [AA^3]
[09:22:56] Checkpointing: Step 303817. . .done
[09:37:57] Checkpointing: Step 341863. . .done
[09:41:06] Step: 350000


j'ai fait un post aussi sur foldingforum.org mais comme c'est en anglais on ne pourra pas m'accuser de faire du cross-posting ;)

   
Le 13/10/2009 à 19h04

Administrateur

Groupe: Administrateur

Inscrit le: 03/06/2009
Messages: 632
A ce que je voie, Stanford s'est encore emmélé les pinceaux avec le serveur d'AS ... :(

MSN    
BlaBla High Tech » Nouveau core, nouveau log ? j'ai trouvé ça dans mon log  
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