Execution Time213.13s

Test: UNRES_M_DOCK_mremd (Passed)
Build: devel Linux-ifort-MPI_no5D NEWCORR (dell15) on 2020-06-17 04:50:24
Repository revision: 95cc80884174e2d4316e46f0fb50a061a1e20f76


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Test output
CTEST_FULL_OUTPUT
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 indpdb=          17  pdbref= T
 Call Read_Bridge.
 ns=           0
 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 Call Read_Bridge.
 Call Read_Bridge.
 Call Read_Bridge.
 Call Read_Bridge.
 ns=           0
 ns=           0
 ns=           0
 ns=           0
 ns=           0
 ns=           0
 ns=           0
 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 ns=           0
 ns=           0
 Processor           7  rest F    restart1fie T
 Processor           3  rest F    restart1fie T
 indpdb=          17  pdbref= T
 ns=           0
 ns=           0
 Call Read_Bridge.
 ns=           0
 ns=           0
 Processor           5  rest F    restart1fie T
 Processor           6  rest F    restart1fie T
 Processor           4  rest F    restart1fie T
 Processor           0  rest F    restart1fie T
 Processor           2  rest F    restart1fie T
 SC_move         430  -1.38044196574412     
 SC_move         430  -1.38282404332662     
 SC_move         430  -2.04117249349108     
 Processor           1  rest F    restart1fie T
 SC_move         430  -1.38037018364327     
 SC_move         430  -1.70716798707290     
 SC_move         430  -1.38103654590950     
 SC_move         430  -1.38910200389264     
 SC_move         430   7.75643623994121     
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.83006143569946       order[           1 ]  0.541378259658813       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   16.4886255264282       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]   1.17195272445679       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   12.0804095268250       order[          10 ]  7.688999176025391E-004
 Processor           1  CG group           1  absolute rank           3 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   3.49487066268921       order[           1 ]  0.398533344268799       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   12.6411814689636       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.809527158737183       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   20.6563861370087       order[          10 ]  8.358955383300781E-004
 Processor           1  CG group           2  absolute rank           5 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   3.41139078140259       order[           1 ]  0.377495765686035       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   12.1380507946014       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.846525907516479       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   11.0462856292725       order[          10 ]  8.430480957031250E-004
 Processor           1  CG group           3  absolute rank           7 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.88337182998657       order[           1 ]  0.402926206588745       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   16.1685295104980       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.854689598083496       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   5.14465117454529       order[          10 ]  1.077890396118164E-003
 Processor           1  CG group           4  absolute rank           9 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   5.79220128059387       order[           1 ]  0.540490388870239       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   16.8527910709381       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.957884311676025       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   17.0832707881927       order[          10 ]  8.568763732910156E-004
 Processor           1  CG group           5  absolute rank          11 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.74029183387756       order[           1 ]  0.552971601486206       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   16.4292509555817       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]   1.20974898338318       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   8.14530372619629       order[          10 ]  8.180141448974609E-004
 Processor           1  CG group           6  absolute rank          13 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.83305263519287       order[           1 ]  0.394992351531982       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   16.3239889144897       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.915424585342407       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   7.35932207107544       order[          10 ]  8.242130279541016E-004
 Processor           1  CG group           7  absolute rank          15 
 Total wall clock time   212.420892000198       sec
 Processor           1  BROADCAST time   1.06428766250610       REDUCE time
   11.7090218067169       GATHER time  0.000000000000000E+000  SCATTER time
   1.37472391128540       SENDRECV  0.000000000000000E+000  BARRIER ene
   43.1087431907654       BARRIER grad  0.736938953399658     
CG processor   1 is finishing work.
 Total wall clock time   212.419409036636       sec
 Processor           2  BROADCAST time  0.973817825317383       REDUCE time
   11.3602614402771       GATHER time  0.000000000000000E+000  SCATTER time
   1.29217910766602       SENDRECV  0.000000000000000E+000  BARRIER ene
   57.0969066619873       BARRIER grad  0.719382762908936     
CG processor   2 is finishing work.
 Total wall clock time   212.398871898651       sec
 Processor           3  BROADCAST time   1.09498047828674       REDUCE time
   7.99786186218262       GATHER time  0.000000000000000E+000  SCATTER time
   1.23250102996826       SENDRECV  0.000000000000000E+000  BARRIER ene
   20.8179988861084       BARRIER grad  0.428965568542480     
CG processor   3 is finishing work.
 Total wall clock time   212.384788990021       sec
 Processor           4  BROADCAST time   1.30284237861633       REDUCE time
   8.92617964744568       GATHER time  0.000000000000000E+000  SCATTER time
   1.63131022453308       SENDRECV  0.000000000000000E+000  BARRIER ene
   1.31132769584656       BARRIER grad  0.385393381118774     
CG processor   4 is finishing work.
 Total wall clock time   212.420897006989       sec
 Processor           5  BROADCAST time   1.28204488754272       REDUCE time
   9.90575933456421       GATHER time  0.000000000000000E+000  SCATTER time
   1.63050222396851       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.625525951385498       BARRIER grad  0.541925430297852     
CG processor   5 is finishing work.
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
 Total wall clock time   212.407150983810       sec
 Processor           6  BROADCAST time   1.07642626762390       REDUCE time
   7.67113423347473       GATHER time  0.000000000000000E+000  SCATTER time
   1.25302386283875       SENDRECV  0.000000000000000E+000  BARRIER ene
   2.79134869575500       BARRIER grad  0.415104389190674     
CG processor   6 is finishing work.
 Total wall clock time   212.419710159302       sec
 Processor           7  BROADCAST time   1.09567356109619       REDUCE time
   7.41482877731323       GATHER time  0.000000000000000E+000  SCATTER time
   1.25733661651611       SENDRECV  0.000000000000000E+000  BARRIER ene
   4.93522763252258       BARRIER grad  0.326357603073120     
CG processor   7 is finishing work.
 Total wall clock time   212.419167995453       sec
 Processor           0  BROADCAST time   1.31447291374207       REDUCE time
   9.75494837760925       GATHER time  0.000000000000000E+000  SCATTER time
   1.65969872474670       SENDRECV  0.000000000000000E+000  BARRIER ene
   6.86835360527039       BARRIER grad  0.492614507675171     
CG processor   0 is finishing work.
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.93875765800476       order[           1 ]  0.380895853042603       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   16.4634001255035       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.927676677703857       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   17.2793118953705       order[          10 ]  7.810592651367188E-004
ACC   1   270.00000     0.46231  199
ACC   2   280.00000     0.54774  199
ACC   3   290.00000     0.61809  199
ACC   4   300.00000     0.66834  199
ACC   5   310.00000     0.75377  199
ACC   6   320.00000     0.75879  199
ACC   7   330.00000     0.25126  199
average exchange = 0.580043