Execution Time192.14s

Test: UNRES_M_DOCK_mremd (Passed)
Build: devel Linux-ifort-MPI-DFA_no5D NEWCORR (dell15) on 2020-06-17 04:59:32
Repository revision: 95cc80884174e2d4316e46f0fb50a061a1e20f76


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Test output
CTEST_FULL_OUTPUT
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 indpdb=          17  pdbref= T
 ns=           0
 ns=           0
 Call Read_Bridge.
 indpdb=          17  pdbref= T
 ns=           0
 Call Read_Bridge.
 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           3  rest F    restart1fie T
 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 Processor           0  rest F    restart1fie T
 Call Read_Bridge.
 Call Read_Bridge.
 ns=           0
 ns=           0
 indpdb=          17  pdbref= T
 ns=           0
 ns=           0
 ns=           0
 Call Read_Bridge.
 indpdb=          17  pdbref= T
 ns=           0
 ns=           0
 Call Read_Bridge.
 ns=           0
 Processor           5  rest F    restart1fie T
 Processor           4  rest F    restart1fie T
 Processor           1  rest F    restart1fie T
 Processor           2  rest F    restart1fie T
 Processor           6  rest F    restart1fie T
 Processor           7  rest F    restart1fie T
 SC_move         430  -1.38282404332662     
 SC_move         430  -1.38037018364327     
 SC_move         430  -1.38910200389264     
 SC_move         430   7.75643623994121     
 SC_move         430  -1.38103654590950     
 SC_move         430  -2.04117249349108     
 SC_move         430  -1.70716798707290     
 SC_move         430  -1.38044196574412     
 Processor           1  CG group           0  absolute rank           1 
 Processor           1  CG group           2  absolute rank           5 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   5.41728329658508       order[           1 ]  0.512669801712036       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   15.2311441898346       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.867923259735107       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   15.7180469036102       order[          10 ]  8.211135864257812E-004
 Processor           1  CG group           3  absolute rank           7 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.47167682647705       order[           1 ]  0.370416641235352       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   14.6865732669830       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.859176635742188       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   15.4124379158020       order[          10 ]  8.320808410644531E-004
 Processor           1  CG group           4  absolute rank           9 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.98905563354492       order[           1 ]  0.348548889160156       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   13.2007791996002       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.777338266372681       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   37.1911644935608       order[          10 ]  7.500648498535156E-004
 Processor           1  CG group           5  absolute rank          11 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.87797951698303       order[           1 ]  0.393054485321045       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   13.0667827129364       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.989435434341431       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   34.6200709342957       order[          10 ]  1.131057739257812E-003
 Processor           1  CG group           6  absolute rank          13 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   3.82967305183411       order[           1 ]  0.365474462509155       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   11.2889502048492       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.774278402328491       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   36.7935650348663       order[          10 ]  8.208751678466797E-004
 Processor           1  CG group           7  absolute rank          15 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   3.71785855293274       order[           1 ]  0.307495832443237       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.7366087436676       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.794912576675415       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   44.6653695106506       order[          10 ]  8.208751678466797E-004
 Total wall clock time   191.390309095383       sec
 Processor           0  BROADCAST time   1.08076596260071       REDUCE time
   7.10902714729309       GATHER time  0.000000000000000E+000  SCATTER time
   1.26264142990112       SENDRECV  0.000000000000000E+000  BARRIER ene
   9.44862818717957       BARRIER grad  0.304949522018433     
CG processor   0 is finishing work.
 Processor           1  CG group           1  absolute rank           3 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   3.99447631835938       order[           1 ]  0.381385087966919       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   13.0559623241425       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.821071624755859       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   16.0410592556000       order[          10 ]  8.201599121093750E-004
 Total wall clock time   191.393076896667       sec
 Processor           3  BROADCAST time  0.925744771957397       REDUCE time
   6.59569215774536       GATHER time  0.000000000000000E+000  SCATTER time
   1.08763933181763       SENDRECV  0.000000000000000E+000  BARRIER ene
   6.96320796012878       BARRIER grad  0.322712659835815     
CG processor   3 is finishing work.
 Total wall clock time   191.396432876587       sec
 Processor           5  BROADCAST time  0.986973762512207       REDUCE time
   7.00877475738525       GATHER time  0.000000000000000E+000  SCATTER time
   1.24303817749023       SENDRECV  0.000000000000000E+000  BARRIER ene
   5.42897248268127       BARRIER grad  0.316643714904785     
CG processor   5 is finishing work.
 Total wall clock time   191.358543872833       sec
 Processor           1  BROADCAST time   1.02092027664185       REDUCE time
   9.07531046867371       GATHER time  0.000000000000000E+000  SCATTER time
   1.29773664474487       SENDRECV  0.000000000000000E+000  BARRIER ene
   24.5569396018982       BARRIER grad  0.507369041442871     
 Total wall clock time   191.389714956284       sec
 Processor           2  BROADCAST time   1.21977019309998       REDUCE time
   8.64082694053650       GATHER time  0.000000000000000E+000  SCATTER time
   1.54403257369995       SENDRECV  0.000000000000000E+000  BARRIER ene
   6.04774093627930       BARRIER grad  0.375607252120972     
CG processor   2 is finishing work.
 Total wall clock time   191.370107889175       sec
Bye Bye...
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Bye Bye...
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Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
Bye Bye...
 Processor           4  BROADCAST time  0.821661710739136       REDUCE time
   5.84588766098022       GATHER time  0.000000000000000E+000  SCATTER time
   1.02019262313843       SENDRECV  0.000000000000000E+000  BARRIER ene
   2.21388792991638       BARRIER grad  0.239835977554321     
CG processor   4 is finishing work.
 Total wall clock time   191.351022958755       sec
 Processor           7  BROADCAST time  0.742115020751953       REDUCE time
   7.32367539405823       GATHER time  0.000000000000000E+000  SCATTER time
  0.916041612625122       SENDRECV  0.000000000000000E+000  BARRIER ene
   24.0351710319519       BARRIER grad  0.485764265060425     
CG processor   7 is finishing work.
CG processor   1 is finishing work.
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
 Total wall clock time   191.338902950287       sec
 Processor           6  BROADCAST time  0.886994600296021       REDUCE time
   8.05173087120056       GATHER time  0.000000000000000E+000  SCATTER time
   1.14838171005249       SENDRECV  0.000000000000000E+000  BARRIER ene
   23.6240298748016       BARRIER grad  0.491665601730347     
CG processor   6 is finishing work.
   4.48854756355286       order[           1 ]  0.495125532150269       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   14.9375603199005       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]   1.13286733627319       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   10.3814315795898       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