Execution Time175.78s

Test: UNRES_CSA_global (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2018-07-19 04:28:36
Repository revision: 11a30d63a53082c984f22fcf36766666cbec2cc1


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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            2  out of            4  rank in CG_COMM            2 
  size of CG_COMM            4  size of FG_COMM            1  rank in FG_COMM1 
 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
            0  size of FG_COMM1            1
 Processor            3  out of            4  rank in CG_COMM            3 
 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
  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=             1  iseed=                  -6119485
 MPI: node=             3  iseed=                 -12238971
 MPI: node=             2  iseed=                  -9179228
 MPI: node=             0  iseed=                  -3059742
 indpdb=            0  pdbref=  F
 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
 Call Read_Bridge.
 ns=            0
 Processor            1            0            0  ivec_start            1 
  ivec_end           21
 Processor            3            0            0  ivec_start            1 
  ivec_end           21
 Processor            2            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
[dell15:172412] 3 more processes have sent help message help-mpi-common-cuda.txt / dlopen failed
[dell15:172412] 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
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 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
 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
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 UPDATING           100          100
 End of minim, proc            3 time     107.4435889720917     
 End of minim, proc            1 time     107.4435849189758     
 End of cycle, master time for            69  iters     107.4420940876007      
 sec, Eval/s     14472.69818412308     
 End of minim, proc            2 time     107.4468169212341     
 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            2 time     174.0731790065765     
 End of minim, proc            3 time     174.0731680393219     
 End of cycle, master time for            42  iters     65.01913881301880      
 sec, Eval/s     14421.66133108252     
 End of minim, proc            1 time     174.0739469528198     
 UPDATING             3            4
 End of RUN, master time     174.0739989280701      sec, Eval/s  
    14449.68815267675     
CG processor   0 is finishing work.
CG processor   1 is finishing work.
CG processor   3 is finishing work.
CG processor   2 is finishing work.
Warning: ieee_denorm is signaling
Warning: ieee_underflow is signaling
Warning: ieee_inexact is signaling
Bye Bye...
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=  -215.81612
Emin=  -215.81612
Emin=  -215.81612
Emin=  -215.81612
difference  .40404  from reference emin -215.41208
difference  .40404  from reference emin -215.41208
difference  .40404  from reference emin -215.41208
difference  .40404  from reference emin -215.41208