Monday, June 03 2024 02:09:40
UNRES
0.25s
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CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
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WARNING: Linux kernel CMA support was requested via the
btl_vader_single_copy_mechanism MCA variable, but CMA support is
not available due to restrictive ptrace settings.
The vader shared memory BTL will fall back on another single-copy
mechanism if one is available. This may result in lower performance.
Local host: dell15
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2
2
JESTEM
JESTEM
JESTEM
JESTEM
JESTEM
JESTEM
indpdb= 23 pdbref= T
0.000000000000000 0.000000000000000
45 46 47
1.975000000000001 -2.016999999999999
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
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
ns= 0
Processor 1 CG Group 0 absolute rank 1
iatsc_s= 15 iatsc_e= 46
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 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: 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: 1 CG group 0 absolute rank 1
loc_start 25 loc_end 47 ithet_start 26
Processor: 0 0 12 13 48
Processor: 0 0 13 14 48
Processor: 0 0 14 15 34
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
after etotal
after hairpin
after secondary
refstr= T
Processor 1 CG group 0 absolute rank 1
leves ERGASTULUM.
Total wall clock time 6.2720235437154770E-002 sec
Processor 0 BROADCAST time 1.1578798294067383E-003 REDUCE time
Processor 1 wait times for respective orders order[ 0 ]
2.5715678930282593E-005 GATHER time 0.000000000000000 SCATTER time
0.000000000000000 SENDRECV 0.000000000000000 BARRIER ene
0.000000000000000 order[ 1 ] 0.000000000000000
7.2233378887176514E-006 BARRIER grad 0.000000000000000
CG processor 0 is finishing work.
order[ 2 ] 0.000000000000000 order[ 3 ]
0.000000000000000 order[ 4 ] 0.000000000000000
order[ 5 ] 0.000000000000000 order[ 6 ]
0.000000000000000 order[ 7 ] 0.000000000000000
order[ 8 ] 0.000000000000000 order[ 9 ]
0.000000000000000 order[ 10 ] 0.000000000000000
Warning: ieee_divide_by_zero is signaling
Warning: ieee_inexact is signaling
Bye Bye...
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
OK: absdiff= .001300, ene= -146.007800
[dell15:60945] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied
[dell15:60945] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
