Execution Time144.38s

Test: UNRES_M_DOCK_mremd (Passed)
Build: devel Linux-ifort-MPI_no5D NEWCORR (dell15) on 2020-06-16 04:38:18
Repository revision: c62681428a265ac97e154b843c5afa4a3d97e9e6


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Test output
CTEST_FULL_OUTPUT
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 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 ns=           0
 indpdb=          17  pdbref= T
 Call Read_Bridge.
 ns=           0
 ns=           0
 ns=           0
 ns=           0
 indpdb=          17  pdbref= T
 Call Read_Bridge.
 Call Read_Bridge.
 ns=           0
 ns=           0
 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 Call Read_Bridge.
 ns=           0
 ns=           0
 ns=           0
 ns=           0
 ns=           0
 Call Read_Bridge.
 Call Read_Bridge.
 ns=           0
 ns=           0
 ns=           0
 Processor           6  rest F    restart1fie T
 Processor           3  rest F    restart1fie T
 Processor           7  rest F    restart1fie T
 Processor           1  rest F    restart1fie T
 Processor           0  rest F    restart1fie T
 Processor           4  rest F    restart1fie T
 Processor           2  rest F    restart1fie T
 Processor           5  rest F    restart1fie T
 SC_move         430  -1.70716798707290     
 SC_move         430  -1.38044196574412     
 SC_move         430  -2.04117249349108     
 SC_move         430  -1.38282404332662     
 SC_move         430  -1.38103654590950     
 SC_move         430  -1.38910200389264     
 SC_move         430  -1.38037018364327     
 SC_move         430   7.75643623994121     
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.39398050308228       order[           1 ]  0.259019851684570       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.5232226848602       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.927549123764038       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   17.9174222946167       order[          10 ]  1.781940460205078E-003
 Processor           1  CG group           1  absolute rank           3 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.51517009735107       order[           1 ]  0.391800880432129       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.9246439933777       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.750331878662109       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   17.9486238956451       order[          10 ]  1.446962356567383E-003
 Processor           1  CG group           2  absolute rank           5 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.41725802421570       order[           1 ]  0.253692388534546       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.4930796623230       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.674694538116455       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   21.6609489917755       order[          10 ]  1.842021942138672E-003
 Processor           1  CG group           3  absolute rank           7 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.52101540565491       order[           1 ]  0.408951044082642       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   11.0489370822906       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.802226305007935       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   19.9715394973755       order[          10 ]  1.436948776245117E-003
 Processor           1  CG group           4  absolute rank           9 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.25240278244019       order[           1 ]  0.309667825698853       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.5638346672058       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.717108488082886       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   7.25181460380554       order[          10 ]  1.852989196777344E-003
 Processor           1  CG group           5  absolute rank          11 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.43224477767944       order[           1 ]  0.276991367340088       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.4288847446442       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.890182018280029       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   21.0567553043365       order[          10 ]  1.415014266967773E-003
 Processor           1  CG group           6  absolute rank          13 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.81849217414856       order[           1 ]  0.394802093505859       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   12.0498738288879       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.903421878814697       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   3.52938199043274       order[          10 ]  1.821994781494141E-003
 Processor           1  CG group           7  absolute rank          15 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.48337626457214       order[           1 ]  0.368857860565186       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.9229860305786       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.857364892959595       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   19.5313053131104       order[          10 ]  1.850843429565430E-003
 Total wall clock time   143.915105104446       sec
 Processor           1  BROADCAST time  0.890477418899536       REDUCE time
   6.57340121269226       GATHER time  0.000000000000000E+000  SCATTER time
 Total wall clock time   143.914332151413       sec
 Processor           2  BROADCAST time  0.627901315689087       REDUCE time
   4.58226299285889       GATHER time  0.000000000000000E+000  SCATTER time
  0.766289472579956       SENDRECV  0.000000000000000E+000  BARRIER ene
   3.28662490844727       BARRIER grad  0.217247486114502     
CG processor   2 is finishing work.
 Total wall clock time   143.914325952530       sec
 Processor           5  BROADCAST time  0.592611551284790       REDUCE time
   4.47591757774353       GATHER time  0.000000000000000E+000  SCATTER time
  0.759517192840576       SENDRECV  0.000000000000000E+000  BARRIER ene
   4.67546629905701       BARRIER grad  0.217292070388794     
CG processor   5 is finishing work.
   1.26413655281067       SENDRECV  0.000000000000000E+000  BARRIER ene
   4.41053414344788       BARRIER grad  0.324582099914551     
CG processor   1 is finishing work.
 Total wall clock time   143.915747165680       sec
 Processor           4  BROADCAST time  0.605843544006348       REDUCE time
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...
   5.66235566139221       GATHER time  0.000000000000000E+000  SCATTER time
  0.828838109970093       SENDRECV  0.000000000000000E+000  BARRIER ene
 Total wall clock time   143.923185110092       sec
 Processor           3  BROADCAST time  0.923547506332397       REDUCE time
   6.62503194808960       GATHER time  0.000000000000000E+000  SCATTER time
   1.35002446174622       SENDRECV  0.000000000000000E+000  BARRIER ene
   3.34352231025696       BARRIER grad  0.372513771057129     
   14.9383678436279       BARRIER grad  0.319327354431152     
CG processor   4 is finishing work.
 Total wall clock time   143.915940999985       sec
 Processor           6  BROADCAST time   1.00128960609436       REDUCE time
   6.79814243316650       GATHER time  0.000000000000000E+000  SCATTER time
   1.39804363250732       SENDRECV  0.000000000000000E+000  BARRIER ene
   3.88723850250244       BARRIER grad  0.347747564315796     
CG processor   6 is finishing work.
 Total wall clock time   143.919208049774       sec
 Processor           7  BROADCAST time  0.913599967956543       REDUCE time
   6.58266854286194       GATHER time  0.000000000000000E+000  SCATTER time
   1.28660726547241       SENDRECV  0.000000000000000E+000  BARRIER ene
   4.48639726638794       BARRIER grad  0.375467300415039     
CG processor   7 is finishing work.
 Total wall clock time   143.922253131866       sec
 Processor           0  BROADCAST time  0.614528894424438       REDUCE time
   4.60008978843689       GATHER time  0.000000000000000E+000  SCATTER time
  0.758739233016968       SENDRECV  0.000000000000000E+000  BARRIER ene
   5.64324665069580       BARRIER grad  0.229873418807983     
CG processor   0 is finishing work.
CG processor   3 is finishing work.
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