Tuesday, November 05 2024 03:10:39
UNRES
0.17s
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CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
2
2
indpdb= 23 pdbref= T
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
0.000000000000000E+000 0.000000000000000E+000
45 46 47
1.97500000000000 -2.01700000000000
45 46 47
-0.872000000000000 -3.21600000000000
45 46 47
3.16900000000000 0.434000000000000
0.000000000000000E+000 0.000000000000000E+000
2 3 4
0.915000000000000 -1.55200000000000
2 3 4
3.31600000000000 2.11600000000000
2 3 4
-1.55800000000000 2.75900000000000
ns= 0
Call Read_Bridge.
ns= 0
Processor 1 CG Group 0 absolute rank 1 iatsc_s
= 15 iatsc_e= 46
Processor 1 CG group 0 absolute rank 1
nele_int_tot 861 my_ele_inds= 431 my_ele_inde 861
Processor
[NON-XML-CHAR-0x1]
CG group
absolute rank
[NON-XML-CHAR-0x1]
Processor: 1 CG group 0 absolute rank 1
loc_start 25 loc_end 47 ithet_start 26 ithet_end
48 iphi_start 26 iphi_end 47 iphid_start
26 iphid_end 46 ibond_start 25 ibond_end
47 ibondp_start 25 ibondp_end 47 iturn3_start
23 iturn3_end 44 iturn4_start 23 iturn4_end
43 ivec_start 24 ivec_end 47 iset_start
27 iset_end 49 idihconstr_start 1 idihconstr_end
0 ithetaconstr_start 1 ithetaconstr_end 0
Processor: 1 1 igrad_start 14 igrad_end
46 ngrad_start 541 ngrad_end 1081
Processor: 1 1 14 35 48
Processor: 1 1 15 16 48
Processor: 1 1 16 17 48
Processor: 1 1 17 18 48
Processor: 1 1 18 19 48
Processor: 1 1 19 20 48
Processor: 1 1 20 21 48
Processor: 1 1 21 22 48
Processor: 1 1 22 23 48
Processor: 1 1 23 24 48
Processor: 1 1 24 25 48
Processor: 1 1 25 26 48
Processor: 1 1 26 27 48
Processor: 1 1 27 28 48
Processor: 1 1 28 29 48
Processor: 1 1 29 30 48
Processor: 1 1 30 31 48
Processor: 1 1 31 32 48
Processor: 1 1 32 33 48
Processor: 1 1 33 34 48
Processor: 1 1 34 35 48
Processor: 1 1 35 36 48
Processor: 1 1 36 37 48
Processor: 1 1 37 38 48
Processor: 1 1 38 39 48
Processor: 1 1 39 40 48
Processor: 1 1 40 41 48
Processor: 1 1 41 42 48
Processor: 1 1 42 43 48
Processor: 1 1 43 44 48
Processor: 1 1 44 45 48
Processor: 1 1 45 46 48
Processor: 1 1 46 47 47
Processor 0 CG Group 0 absolute rank 0 iatsc_s
= 2 iatsc_e= 15
Processor 0 CG group 0 absolute rank 0
nele_int_tot 861 my_ele_inds= 1 my_ele_inde 430
Processor
CG group
absolute rank
Processor: 0 CG group 0 absolute rank 0
loc_start 2 loc_end 24 ithet_start 3 ithet_end
25 iphi_start 5 iphi_end 25 iphid_start
5 iphid_end 25 ibond_start 2 ibond_end
24 ibondp_start 3 ibondp_end 24 iturn3_start
2 iturn3_end 22 iturn4_start 2 iturn4_end
22 ivec_start 1 ivec_end 23 iset_start
4 iset_end 26 idihconstr_start 1 idihconstr_end
0 ithetaconstr_start 1 ithetaconstr_end 0
Processor: 0 0 igrad_start 1 igrad_end
14 ngrad_start 1 ngrad_end 540
Processor: 0 0 1 2 48
Processor: 0 0 2 3 48
Processor: 0 0 3 4 48
Processor: 0 0 4 5 48
Processor: 0 0 5 6 48
Processor: 0 0 6 7 48
Processor: 0 0 7 8 48
Processor: 0 0 8 9 48
Processor: 0 0 9 10 48
Processor: 0 0 10 11 48
Processor: 0 0 11 12 48
Processor: 0 0 12 13 48
Processor: 0 0 13 14 48
Processor: 0 0 14 15 34
after etotal
after hairpin
after secondary
refstr= T
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Processor 1 wait times for respective orders order[ 0 ]
0.000000000000000E+000 order[ 1 ] 0.000000000000000E+000 order[
2 ] 0.000000000000000E+000 order[ 3 ]
0.000000000000000E+000 order[ 4 ] 0.000000000000000E+000 order[
5 ] 0.000000000000000E+000 order[ 6 ]
0.000000000000000E+000 order[ 7 ] 0.000000000000000E+000 order[
8 ] 0.000000000000000E+000 order[ 9 ]
0.000000000000000E+000 order[ 10 ] 0.000000000000000E+000
Total wall clock time 5.060791969299316E-002 sec
Processor 0 BROADCAST time 4.768371582031250E-006 REDUCE time
2.193450927734375E-005 GATHER time 0.000000000000000E+000 SCATTER time
0.000000000000000E+000 SENDRECV 0.000000000000000E+000 BARRIER ene
1.096725463867188E-005 BARRIER grad 0.000000000000000E+000
CG processor 0 is finishing work.
Bye Bye...
Bye Bye...
OK: absdiff= 0, ene= -1.460091E+02
OK: absdiff= 0, ene= -1.460091E+02
