160.22s
Test: UNRES_CSA_global
(Passed)
Build: Linux-pgi-MPI GAB
(dell15)
on 2018-07-24 04:00:51
Repository revision: cfd3f3ea9ccac7a6b9cb0e802b4c9e5927a506f6
Show Command Line/opt/pgi/linux86-64/2017/mpi/openmpi/bin/mpirun "-np" "4" "/tmp/cdash/build/source/unres/src_CSA/test_csa_4P.sh" "1l2y_csa_4P"
Show Test Time Graph
Show Failing/Passing Graph
Test outputCTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
CTEST_FULL_OUTPUT
--------------------------------------------------------------------------
The library attempted to open the following supporting CUDA libraries,
but each of them failed. CUDA-aware support is disabled.
libcuda.so.1: cannot open shared object file: No such file or directory
/usr/lib64/libcuda.so.1: cannot open shared object file: No such file or directory
If you are not interested in CUDA-aware support, then run with
--mca mpi_cuda_support 0 to suppress this message. If you are interested
in CUDA-aware support, then try setting LD_LIBRARY_PATH to the location
of libcuda.so.1 to get passed this issue.
--------------------------------------------------------------------------
Processor 2 out of 4 rank in CG_COMM 2
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 3 out of 4 rank in CG_COMM 3
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 0 out of 4 rank in CG_COMM 0
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Processor 1 out of 4 rank in CG_COMM 1
size of CG_COMM 4 size of FG_COMM 1 rank in FG_COMM1
0 size of FG_COMM1 1
Inside initializeInside initializeInside initializeInside initialize MPI: node= 2 iseed= -9179228
MPI: node= 3 iseed= -12238971
MPI: node= 1 iseed= -6119485
MPI: node= 0 iseed= -3059742
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
Call Read_Bridge.
ns= 0
indpdb= 0 pdbref= F
Call Read_Bridge.
ns= 0
Processor 1 0 0 ivec_start 1
ivec_end 21
Processor 2 0 0 ivec_start 1
ivec_end 21
Processor 3 0 0 ivec_start 1
ivec_end 21
Processor 0 0 0 ivec_start 1
ivec_end 21
HOHOHOHO Make_RanVar!!!!! 50 0
phi( 7 )= 0.4572197754970199
phi( 11 )= 0.4193748021304866
phi( 11 )= -1.065413018388540
phi( 12 )= 0.7533187199273869
phi( 17 )= 1.782679951632804
phi( 9 )= -0.7030908930561894
phi( 13 )= -2.560048999966253
phi( 11 )= -1.927621362603112
phi( 8 )= -0.4996045251339168
phi( 7 )= -1.419145692468418
phi( 9 )= -1.637455828198885
phi( 17 )= 1.926353447788142
phi( 7 )= -1.818506028055318
phi( 9 )= -0.2116012412351548
phi( 9 )= 0.4333906681182525
phi( 14 )= 0.4352345950717600
phi( 14 )= 0.4921720534030848
phi( 13 )= 3.014108220764739
phi( 18 )= -0.1271116807090470
phi( 17 )= -1.131187315079666
phi( 17 )= 0.9719861484817717
phi( 20 )= -0.7183432329912391
phi( 9 )= -1.565533385479107
phi( 9 )= 2.522835561028774
phi( 19 )= 1.837686124029751
phi( 18 )= -7.1289311381753762E-002
phi( 7 )= 0.5738749524318308
phi( 9 )= -0.3906318950410121
phi( 9 )= 0.6183195156496250
phi( 19 )= 1.618122919407821
phi( 9 )= -1.696969339230346
phi( 19 )= -2.648710536731317
phi( 18 )= 1.401357979170503
phi( 8 )= 0.7822856120461691
phi( 7 )= -1.672758736921373
phi( 9 )= -0.3967086383994856
phi( 10 )= 1.503056726717542
phi( 9 )= -1.444581840157815
phi( 11 )= -2.268485448593399
phi( 9 )= 2.211933612446179
phi( 8 )= 2.072820538173563
phi( 7 )= -2.185062153294656
phi( 9 )= -1.468683398624066
phi( 10 )= -0.8583320879553009
phi( 13 )= 2.921198543249083
phi( 4 )= -2.500601977793962
phi( 18 )= -1.204109229530574
phi( 18 )= -2.402764332041859
phi( 18 )= 1.613459017526706
phi( 21 )= 2.352606401014993
phi( 17 )= -0.2588731955853994
phi( 21 )= 3.135778159021402
phi( 21 )= -1.634161975358114
phi( 20 )= -2.486920355557278
phi( 20 )= 2.384981374336828
phi( 4 )= -1.247693892472105
phi( 14 )= -0.6891820185224438
phi( 14 )= 0.4747849538676079
phi( 13 )= -0.8087979575091139
phi( 14 )= -1.757315731216552
phi( 13 )= -3.0880073632795109E-002
phi( 9 )= 3.3156404620581316E-002
phi( 9 )= -2.790699666190797
phi( 11 )= 3.103855513260481
phi( 13 )= 2.935893785468973
phi( 18 )= 2.856329222752902
phi( 17 )= 1.511027371077565
phi( 11 )= 1.383401934469520
phi( 10 )= -2.309650921156111
phi( 14 )= 2.301914367033685
phi( 7 )= 0.1162113485040213
phi( 8 )= 2.418473895125803
phi( 7 )= 0.6093750393178626
phi( 7 )= 0.9032892108772165
phi( 20 )= -2.780712196124796
phi( 10 )= -1.058005074078155
phi( 11 )= 2.951398915751483
phi( 20 )= 1.335597715322914
phi( 9 )= -1.817820908209811
phi( 8 )= -1.151241223124145
phi( 15 )= 2.844020413696611
phi( 14 )= 6.2045667036638365E-002
phi( 6 )= 2.011715613214915
phi( 7 )= 2.585903234128057
phi( 6 )= -3.133844801866734
phi( 11 )= -2.632354830298425
Make_RanVar!!!!! m= 50 itrial= 50
Exitted from make_ranvar nconfr= 50
FEEDIN: NCONF= 50
UPDATING 97 97
UPDATING 100 100
[dell15:163641] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:163641] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 98.03347611427307
End of minim, proc 3 time 98.03479290008545
End of cycle, master time for 68 iters 98.05425095558167
sec, Eval/s 15157.70081883834
End of minim, proc 1 time 98.05853009223938
UPDATING 3 4
HOHOHOHO Make_RanVar!!!!! 50 0
phi( 8 )= 1.369524288980997
phi( 7 )= 2.853709103822825
phi( 8 )= 0.2703402249324076
phi( 8 )= -0.4452463753647663
phi( 15 )= -0.6196952210509813
phi( 14 )= -2.599384699846651
phi( 16 )= 0.3744198558173585
phi( 16 )= -0.6832271278620078
phi( 19 )= -2.729933112536417
phi( 19 )= 0.1771006563700440
phi( 19 )= -2.381629307369831
phi( 4 )= 1.480966745287640
phi( 17 )= -2.754930608025069
phi( 9 )= -1.921534969494242
phi( 16 )= -1.284698114412818
phi( 17 )= -1.753129940456273
phi( 15 )= -3.140513699032895
phi( 8 )= -0.4595238270399912
phi( 17 )= 0.7843664684998894
phi( 10 )= 0.6392050264512553
phi( 11 )= -1.489179462523573
phi( 18 )= 2.800355289498889
phi( 13 )= 2.647187884070060
phi( 8 )= 5.0337230730012096E-002
phi( 8 )= 1.699914948882725
phi( 9 )= 3.010091777216993
phi( 8 )= -0.5359820117502873
phi( 10 )= 1.778028395246805
phi( 9 )= 1.969229046826086
phi( 9 )= 0.9617009291075405
phi( 9 )= -0.6988979303646772
phi( 9 )= 2.970757837126650
phi( 7 )= 1.532856176316134
phi( 12 )= 2.067771679159792
phi( 11 )= 0.4990506143641643
phi( 9 )= 2.457936831893124
phi( 11 )= -2.019359690325266
phi( 17 )= -1.080261476811895
phi( 17 )= 1.788848286309679
phi( 4 )= 3.069373019977611
phi( 19 )= 2.003815749357714
phi( 7 )= 1.102418885050035
phi( 8 )= -0.3720939215899454
phi( 9 )= -0.7496911815010650
phi( 9 )= -1.558991483751203
phi( 9 )= -1.749073018335653
phi( 21 )= -1.831993546308541
phi( 21 )= -3.072515873393244
phi( 17 )= -0.8376169084850410
phi( 17 )= -0.3545132842886605
phi( 16 )= -7.2941137016493421E-002
phi( 17 )= -1.763012499720518
phi( 17 )= -0.3574952239555939
phi( 8 )= -2.3911685153765933E-002
phi( 8 )= 0.1269191418291429
phi( 8 )= -2.063500399956811
phi( 11 )= 1.950095582704786
phi( 10 )= -1.611414411325112
phi( 12 )= 1.938640711120402
phi( 11 )= -2.732997262870202
phi( 19 )= 2.303363755141196
phi( 7 )= -2.276649022618549
phi( 21 )= -2.725466975855039
phi( 20 )= 2.515658960128339
phi( 9 )= 3.023260215293457
phi( 12 )= -1.326929015293955
phi( 17 )= -1.195909397400529
phi( 12 )= 1.298546444042138
phi( 9 )= 0.5812851852525855
phi( 9 )= -1.925263764150703
phi( 9 )= 0.5006945970857893
phi( 10 )= -0.1358435858676606
phi( 7 )= -0.3486270749678169
phi( 7 )= -0.4825976341126164
phi( 17 )= 1.054655714222720
phi( 13 )= -0.7848268013625928
phi( 13 )= 2.653006573929983
phi( 20 )= -1.102184241954209
phi( 6 )= -1.274349935380532
phi( 10 )= -2.221957407718048
phi( 9 )= 0.4542565210147269
phi( 9 )= 0.3345601068819010
phi( 9 )= 2.269749120540833
phi( 5 )= 2.528934183163449
phi( 9 )= -0.4022720003002027
phi( 10 )= -1.087999664766626
phi( 9 )= 2.782470328215638
phi( 7 )= -1.165826067413586
phi( 9 )= 0.9629860682571765
phi( 21 )= -2.705607232149325
phi( 9 )= -1.133128826135443
phi( 13 )= 0.3139771187189517
phi( 12 )= 0.2200880779016112
phi( 12 )= -5.2678312518016371E-002
phi( 12 )= 0.1350620871552461
phi( 12 )= 1.802429866114318
phi( 6 )= -4.7875790082525620E-002
phi( 17 )= 0.9689708517340636
phi( 17 )= -2.684398361009264
phi( 9 )= 2.277137395678763
phi( 15 )= 1.592949225420209
phi( 14 )= 2.957386446038495
phi( 20 )= 2.553564510504010
phi( 6 )= 2.810624156172028
phi( 7 )= 2.114986483664974
phi( 20 )= 2.705741757833679
phi( 9 )= 1.977041290356866
phi( 17 )= 2.489662407243737
phi( 11 )= -0.6053848852807967
phi( 11 )= -0.4672020320567300
phi( 12 )= 2.479153391734766
phi( 8 )= -2.141913250264952
phi( 7 )= 1.516427961309776
phi( 9 )= 2.385511253121288
phi( 9 )= -0.6657743580648363
phi( 9 )= -0.8448675550711228
phi( 17 )= 2.689526484710944
Make_RanVar!!!!! m= 50 itrial= 50
Exitted from make_ranvar nconfr= 50
FEEDIN: NCONF= 50
UPDATING 97 97
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
UPDATING 100 100
End of minim, proc 2 time 158.6790220737457
End of minim, proc 1 time 158.6812410354614
End of cycle, master time for 43 iters 58.90949511528015
sec, Eval/s 15553.19729369646
End of minim, proc 3 time 158.6837079524994
UPDATING 3 4
End of RUN, master time 158.6842758655548 sec, Eval/s
15285.92538088096
CG processor 0 is finishing work.
CG processor 2 is finishing work.
CG processor 3 is finishing work.
CG processor 1 is finishing work.
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_invalid is signaling
Warning: ieee_overflow is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin= -214.86226
Emin= -214.86226
Emin= -214.86226
Emin= -214.86226
difference .54982 from reference emin -215.41208
difference .54982 from reference emin -215.41208
difference .54982 from reference emin -215.41208
difference .54982 from reference emin -215.41208