Execution Time161.02s

Test: UNRES_M_DOCK_mremd (Passed)
Build: devel Linux-ifort-MPI_no5D E0LL2Y (dell15) on 2020-06-14 04:13:19
Repository revision: 373aa6f0a2f16a8dda57c0c8a42259d57303f6f9


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Test output
CTEST_FULL_OUTPUT
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 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 Call Read_Bridge.
 Call Read_Bridge.
 ns=           0
 ns=           0
 indpdb=          17  pdbref= T
 indpdb=          17  pdbref= T
 ns=           0
 Call Read_Bridge.
 ns=           0
 indpdb=          17  pdbref= T
 Call Read_Bridge.
 indpdb=          17  pdbref= T
 ns=           0
 ns=           0
 ns=           0
 Call Read_Bridge.
 indpdb=          17  pdbref= T
 ns=           0
 indpdb=          17  pdbref= T
 ns=           0
 Call Read_Bridge.
 Call Read_Bridge.
 ns=           0
 Call Read_Bridge.
 ns=           0
 ns=           0
 ns=           0
 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           5  rest F    restart1fie T
 Processor           2  rest F    restart1fie T
 Processor           4  rest F    restart1fie T
 SC_move         430  -3.08591023022393     
 SC_move         430  -2.28870002870487     
 SC_move         430  -2.28877455494095     
 SC_move         430  -2.29931140090055     
 SC_move         430  -2.69087361089718     
 SC_move         430  -2.29112932160902     
 SC_move         430   7.23125365970579     
 SC_move         430  -2.28993068777521     
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.35745644569397       order[           1 ]  0.280541181564331       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.6820096969604       order[
 Processor           1  CG group           1  absolute rank           3 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.47571635246277       order[           1 ]  0.391480207443237       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   11.4686114788055       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.833215236663818       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   6.99271035194397       order[          10 ]  7.920265197753906E-004
 Processor           1  CG group           2  absolute rank           5 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.47668957710266       order[           1 ]  0.360916376113892       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.9505167007446       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.755990982055664       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   10.3445458412170       order[          10 ]  3.412008285522461E-003
 Processor           1  CG group           3  absolute rank           7 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.54518771171570       order[           1 ]  0.368517637252808       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   11.1069617271423       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.789460659027100       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   14.8215844631195       order[          10 ]  1.055002212524414E-003
 Processor           1  CG group           4  absolute rank           9 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.55342388153076       order[           1 ]  0.261958122253418       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.9610567092896       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.538681983947754       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   13.3535103797913       order[          10 ]  1.632928848266602E-003
 Processor           1  CG group           5  absolute rank          11 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.44772720336914       order[           1 ]  0.367664337158203       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   11.0888159275055       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.688802242279053       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   14.2151212692261       order[          10 ]  4.852056503295898E-003
 Processor           1  CG group           6  absolute rank          13 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.42715120315552       order[           1 ]  0.316689252853394       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   10.7684922218323       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.699945449829102       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   12.7187821865082       order[          10 ]  8.039474487304688E-004
 Processor           1  CG group           7  absolute rank          15 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
   4.42509460449219       order[           1 ]  0.305955648422241       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   11.1205198764801       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.725670337677002       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   14.9433870315552       order[          10 ]  8.711814880371094E-004
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.646862030029297       order[
           8 ]  0.000000000000000E+000  order[           9 ]
   10.5830316543579       order[          10 ]  8.218288421630859E-004
 Total wall clock time   160.537461996078       sec
 Processor           6  BROADCAST time  0.655047655105591       REDUCE time
   4.77173638343811       GATHER time  0.000000000000000E+000  SCATTER time
  0.795154809951782       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.282229661941528       BARRIER grad  0.255542039871216     
CG processor   6 is finishing work.
 Total wall clock time   160.537461996078       sec
 Processor           5  BROADCAST time  0.881419897079468       REDUCE time
   6.35703349113464       GATHER time  0.000000000000000E+000  SCATTER time
   1.26026105880737       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.342700481414795       BARRIER grad  0.381826877593994     
CG processor   5 is finishing work.
 Total wall clock time   160.526857137680       sec
 Processor           0  BROADCAST time  0.632112503051758       REDUCE time
   5.00047278404236       GATHER time  0.000000000000000E+000  SCATTER time
  0.808501005172729       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.375616550445557       BARRIER grad  0.245976209640503     
CG processor   0 is finishing work.
 Total wall clock time   160.520337104797       sec
 Processor           1  BROADCAST time  0.865461826324463       REDUCE time
Bye Bye...
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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...
   6.86708450317383       GATHER time  0.000000000000000E+000  SCATTER time
   1.18845677375793       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.315730810165405       BARRIER grad  0.378168582916260     
CG processor   1 is finishing work.
 Total wall clock time   160.520632028580       sec
 Processor           2  BROADCAST time  0.860387563705444       REDUCE time
   6.62834429740906       GATHER time  0.000000000000000E+000  SCATTER time
   1.17748594284058       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.311626911163330       BARRIER grad  0.368869543075562     
CG processor   2 is finishing work.
 Total wall clock time   160.522119998932       sec
 Processor           3  BROADCAST time  0.872697353363037       REDUCE time
   6.68489336967468       GATHER time  0.000000000000000E+000  SCATTER time
   1.20768475532532       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.433434009552002       BARRIER grad  0.350381374359131     
CG processor   3 is finishing work.
 Total wall clock time   160.527708053589       sec
 Processor           4  BROADCAST time  0.665217161178589       REDUCE time
   4.87874960899353       GATHER time  0.000000000000000E+000  SCATTER time
  0.849713325500488       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.284354686737061       BARRIER grad  0.217140436172485     
CG processor   4 is finishing work.
 Total wall clock time   160.522126913071       sec
 Processor           7  BROADCAST time  0.649521827697754       REDUCE time
   5.04176855087280       GATHER time  0.000000000000000E+000  SCATTER time
  0.851285457611084       SENDRECV  0.000000000000000E+000  BARRIER ene
  0.280598878860474       BARRIER grad  0.258097171783447     
CG processor   7 is finishing work.
ACC   1   270.00000     0.35176  199
ACC   2   280.00000     0.53266  199
ACC   3   290.00000     0.50251  199
ACC   4   300.00000     0.39698  199
ACC   5   310.00000     0.61307  199
ACC   6   320.00000     0.69849  199
ACC   7   330.00000     0.51256  199
average exchange = 0.515433