Friday, November 01 2024 01:12:47
UNRES
219.07s| Histograms remd_dfa | |
|---|---|
| Energy remd_dfa |
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CTEST_FULL_OUTPUT nodes 8 rank 1 nodes 8 rank 3 nodes 8 rank 4 nodes 8 rank 5 nodes 8 rank 6 nodes 8 rank 7 Processor 3 out of 8 rank in CG_COMM 3 size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Processor 4 out of 8 rank in CG_COMM 4 size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Processor 6 out of 8 rank in CG_COMM 6 size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Processor 1 out of 8 rank in CG_COMM 1 size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Processor 7 out of 8 rank in CG_COMM 7 size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Inside initialize Processor 5 out of 8 rank in CG_COMM 5 size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Inside initialize nodes 8 rank 0 Processor 0 out of 8 rank in CG_COMM 0 size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 nodes 8 rank 2 Processor 2 out of 8 rank in CG_COMM 2 size of CG_COMM 8 size of FG_COMM 1 rank in FG_COMM1 0 size of FG_COMM1 1 Inside initializeInside initialize MPI: node= 5 iseed= -18358457 Inside initializeInside initializeInside initializeInside initialize indpdb= 45 pdbref= T Call Read_Bridge. ns= 0 MPI: node= 2 iseed= -9179228 indpdb= 45 pdbref= T MPI: node= 4 iseed= -15298714 MPI: node= 6 iseed= -21418200 MPI: node= 3 iseed= -12238971 MPI: node= 0 iseed= -3059742 MPI: node= 1 iseed= -6119485 MPI: node= 7 iseed= -24477943 Call Read_Bridge. ns= 0 indpdb= 45 pdbref= T indpdb= 45 pdbref= T indpdb= 45 pdbref= T indpdb= 45 pdbref= T indpdb= 45 pdbref= T indpdb= 45 pdbref= T Call Read_Bridge. ns= 0 Call Read_Bridge. ns= 0 Call Read_Bridge. ns= 0 Call Read_Bridge. ns= 0 Call Read_Bridge. ns= 0 Call Read_Bridge. ns= 0 ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! Processor 5 0 0 ivec_start 1 ivec_end 76 ishiftca= 1 ilastca= 76 init_dfa_vars finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! Processor 0 0 0 ivec_start 1 ivec_end 76 Processor 5 0 0 ivec_start 1 ivec_end 76 ishiftca= 1 ilastca= 76 init_dfa_vars finished! ishiftca= 1 ilastca= 76 init_dfa_vars finished! read_dfa_info finished! Processor 4 0 0 ivec_start 1 ivec_end 76 ishiftca= 1 ilastca= 76 init_dfa_vars finished! Processor 5 rest F restart1fie T ishiftca= 1 ilastca= 76 init_dfa_vars finished! Processor 0 0 0 ivec_start 1 ivec_end 76 STOP Bye Bye... STOP Bye Bye... STOP Bye Bye... STOP Bye Bye... STOP Bye Bye... STOP Bye Bye... STOP Bye Bye... STOP Bye Bye... Processor 0 rest F restart1fie T read_dfa_info finished! Processor 7 0 0 ivec_start 1 ivec_end 76 read_dfa_info finished! Processor 6 0 0 ivec_start 1 ivec_end 76 Processor 4 0 0 ivec_start 1 ivec_end 76 read_dfa_info finished! Processor 2 0 0 ivec_start 1 ivec_end 76 ishiftca= 1 ilastca= 76 init_dfa_vars finished! Calling OVERLAP_SC read_dfa_info finished! Processor 3 0 0 ivec_start 1 ivec_end 76 Processor 7 0 0 ivec_start 1 ivec_end 76 Processor 6 0 0 ivec_start 1 ivec_end 76 Processor 4 rest F restart1fie T Processor 7 rest F restart1fie T read_dfa_info finished! Processor 1 0 0 ivec_start 1 ivec_end 76 Calling OVERLAP_SC Processor 6 rest F restart1fie T Processor 2 0 0 ivec_start 1 ivec_end 76 Processor 3 0 0 ivec_start 1 ivec_end 76 Calling OVERLAP_SC Processor 2 rest F restart1fie T Processor 3 rest F restart1fie T Processor 1 0 0 ivec_start 1 ivec_end 76 Calling OVERLAP_SC Processor 1 rest F restart1fie T Calling OVERLAP_SC Calling OVERLAP_SC Calling OVERLAP_SC Calling OVERLAP_SC SC_move 4657 -147.39725656719924 Calling MINIM_DC SC_move 4573 -110.58967993058545 Calling MINIM_DC SC_move 4677 -137.52025231475517 Calling MINIM_DC SC_move 4598 -139.70768240856975 Calling MINIM_DC SC_move 4669 8.6353120386612616 Calling MINIM_DC SC_move 4676 -139.96822017911114 Calling MINIM_DC SC_move 4662 -101.25579237794292 Calling MINIM_DC SC_move 4667 21.521553051675504 Calling MINIM_DC CG processor 0 is finishing work. CG processor 1 is finishing work. CG processor 2 is finishing work. CG processor 3 is finishing work. CG processor 4 is finishing work. CG processor 5 is finishing work. CG processor 6 is finishing work. CG processor 7 is finishing work. /usr/lib/pymodules/python2.7/matplotlib/axes.py:2760: UserWarning: Attempting to set identical bottom==top results in singular transformations; automatically expanding. bottom=0, top=0 + 'bottom=%s, top=%s') % (bottom, top)) ACC 1 240.00000 0.02020 99 ACC 2 260.00000 0.02020 99 ACC 3 280.00000 0.07071 99 ACC 4 300.00000 0.11111 99 ACC 5 320.00000 0.16162 99 ACC 6 340.00000 0.32323 99 ACC 7 360.00000 0.08081 99 average exchange = 0.112554
