Execution Time391.18s

Test: UNRES_CSA_global_E0LL2Y (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2020-03-06 04:27:02
Repository revision: 86a7a0fff3fb6d1c18791c4d2723ee3173d2cf65


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Test output
CTEST_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            0  out of            4  rank in CG_COMM            0 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 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            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
            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
Inside initializeInside initializeInside initializeInside initialize thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
           51  opened
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
           51  opened
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
 thetname_pdb 
 /tmp/cdash/homology/source/PARAM/thetaml.5parm                                                                                                                                                                                                                  
           51  opened
           51  opened
 MPI: node=             0  iseed=                  -3059742
 MPI: node=             2  iseed=                  -9179228
 MPI: node=             1  iseed=                  -6119485
 MPI: node=             3  iseed=                 -12238971
 indpdb=            0  pdbref=  F
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Call Read_Bridge.
 ns=            0
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 indpdb=            0  pdbref=  F
 Call Read_Bridge.
 ns=            0
 Processor            2            0            0  ivec_start            1 
  ivec_end           21
 Processor            0            0            0  ivec_start            1 
  ivec_end           21
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 Processor            3            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
[dell15:141787] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:141787] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
 UPDATING            97           97
 UPDATING           100          100
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 UPDATING           100          100
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 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
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 UPDATING           100          100
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 UPDATING           100          100
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 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            3 time     226.0068340301514     
 End of minim, proc            1 time     226.0132060050964     
 End of cycle, master time for            70  iters     226.0589299201965      
 sec, Eval/s     11975.42605795613     
 End of minim, proc            2 time     226.0636231899261     
 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
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 End of minim, proc            1 time     387.5771679878235     
 End of minim, proc            2 time     387.6492869853973     
 End of cycle, master time for            41  iters     158.1533570289612      
 sec, Eval/s     11630.90075706174     
 End of minim, proc            3 time     387.6616058349609     
 UPDATING             3            4
 End of RUN, master time     387.6616938114166      sec, Eval/s  
    11832.58514634523     
CG processor   2 is finishing work.
CG processor   1 is finishing work.
CG processor   3 is finishing work.
CG processor   0 is finishing work.
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_denorm is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_denorm is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Warning: ieee_denorm is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
Emin=  29.82493
Emin=  29.82493
Emin=  29.82493
Emin=  29.82493
difference  .10331  from reference emin 29.92824
difference  .10331  from reference emin 29.92824
difference  .10331  from reference emin 29.92824
difference  .10331  from reference emin 29.92824