0.24s
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CTEST_FULL_OUTPUT
1
JESTEM
JESTEM
JESTEM
indpdb= 23 pdbref= T
0.000000000000000 0.000000000000000
45 46 47
1.975000000000001 -2.016999999999999
45 46 47
-0.8720000000000000 -3.216000000000000
45 46 47
3.169000000000000 0.4340000000000002
0.000000000000000 0.000000000000000
2 3 4
0.9150000000000000 -1.552000000000000
2 3 4
3.316000000000000 2.116000000000000
2 3 4
-1.558000000000000 2.759000000000000
Call Read_Bridge.
ns= 0
Processor 0 CG Group 0 absolute rank 0
iatsc_s= 2 iatsc_e= 46
Processor 0 CG group 0 absolute rank 0
nele_int_tot 861 my_ele_inds= 1 my_ele_inde
861
Processor
CG group
absolute rank
Processor: 0 CG group 0 absolute rank 0
loc_start 2 loc_end 47 ithet_start 3
ithet_end 48 iphi_start 5 iphi_end 47
iphid_start 5 iphid_end 46 ibond_start 2
ibond_end 47 ibondp_start 3 ibondp_end 47
iturn3_start 2 iturn3_end 44 iturn4_start 2
iturn4_end 43 ivec_start 1 ivec_end 47
iset_start 4 iset_end 49 idihconstr_start 1
idihconstr_end 0 ithetaconstr_start 1
ithetaconstr_end 0
Processor: 0 0 igrad_start 1 igrad_end
46 ngrad_start 1 ngrad_end 1081
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 48
Processor: 0 0 15 16 48
Processor: 0 0 16 17 48
Processor: 0 0 17 18 48
Processor: 0 0 18 19 48
Processor: 0 0 19 20 48
Processor: 0 0 20 21 48
Processor: 0 0 21 22 48
Processor: 0 0 22 23 48
Processor: 0 0 23 24 48
Processor: 0 0 24 25 48
Processor: 0 0 25 26 48
Processor: 0 0 26 27 48
Processor: 0 0 27 28 48
Processor: 0 0 28 29 48
Processor: 0 0 29 30 48
Processor: 0 0 30 31 48
Processor: 0 0 31 32 48
Processor: 0 0 32 33 48
Processor: 0 0 33 34 48
Processor: 0 0 34 35 48
Processor: 0 0 35 36 48
Processor: 0 0 36 37 48
Processor: 0 0 37 38 48
Processor: 0 0 38 39 48
Processor: 0 0 39 40 48
Processor: 0 0 40 41 48
Processor: 0 0 41 42 48
Processor: 0 0 42 43 48
Processor: 0 0 43 44 48
Processor: 0 0 44 45 48
Processor: 0 0 45 46 48
Processor: 0 0 46 47 47
after etotal
after hairpin
after secondary
refstr= T
CG processor 0 is finishing work.
Warning: ieee_denorm is signaling
Warning: ieee_divide_by_zero is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
OK: absdiff= .001300, ene= -146.007800
