Tuesday, September 17 2024 20:30:21
UNRES
0.19s| Exit Value | 1 |
|---|
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CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
2
2
0.0000000000000000 0.0000000000000000
45 46 47
1.9750000000000014 -2.0169999999999995
45 46 47
-0.87200000000000000 -3.2160000000000002
45 46 47
3.1690000000000000 0.43400000000000016
0.0000000000000000 0.0000000000000000
2 3 4
0.91500000000000004 -1.5520000000000000
2 3 4
3.3159999999999998 2.1159999999999997
2 3 4
-1.5579999999999998 2.7590000000000003
indpdb= 23 pdbref= T
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
0.0000000000000000 0.0000000000000000
45 46 47
1.9750000000000014 -2.0169999999999995
45 46 47
-0.87200000000000000 -3.2160000000000002
45 46 47
3.1690000000000000 0.43400000000000016
0.0000000000000000 0.0000000000000000
2 3 4
0.91500000000000004 -1.5520000000000000
2 3 4
3.3159999999999998 2.1159999999999997
2 3 4
-1.5579999999999998 2.7590000000000003
Call Read_Bridge.
ns= 0
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.
Total wall clock time 0.11137700080871582 sec
Processor 0 BROADCAST time 8.1062316894531250E-006 REDUCE time 1.4066696166992188E-005 GATHER time 0.0000000000000000 SCATTER time 0.0000000000000000 SENDRECV 0.0000000000000000 BARRIER ene 1.0013580322265625E-005 BARRIER grad 0.0000000000000000
CG processor 0 is finishing work.
Processor 1 wait times for respective orders order[ 0 ] 6.0134700169882470E-154 order[ 1 ] 6.0134700169990685E-154 order[ 2 ] 6.0134700169990685E-154 order[ 3 ] 6.0134700169990685E-154 order[ 4 ] 6.0134700169990685E-154 order[ 5 ] 6.0134700169990685E-154 order[ 6 ] 6.9531405867369770E-310 order[ 7 ] 1.4821969375237396E-323 order[ 8 ] 6.9531405867369770E-310 order[ 9 ] 2.3602299048489657E-310 order[ 10 ] 6.0134700169990685E-154
STOP Bye Bye...
STOP Bye Bye...
(standard_in) 1: illegal character: \
(standard_in) 1: syntax error
(standard_in) 1: illegal character: \
(standard_in) 1: syntax error
(standard_in) 1: syntax error
(standard_in) 1: syntax error
./prota_unres_energy_check_mult.sh: line 315: [: -eq: unary operator expected
./prota_unres_energy_check_mult.sh: line 315: [: -eq: unary operator expected
(standard_in) 1: syntax error
(standard_in) 1: syntax error
./prota_unres_energy_check_mult.sh: line 322: [: -eq: unary operator expected
./prota_unres_energy_check_mult.sh: line 322: [: -eq: unary operator expected
WARNING: energy is somewhat different , ene= 10000000000000000000000000000000000000000000000000000000000000000000\
00000000000000000000000000000000.000000
WARNING: energy is somewhat different , ene= 10000000000000000000000000000000000000000000000000000000000000000000\
00000000000000000000000000000000.000000
