CDash : UNRES

12.76s

Test: UNRES_M_MD_microcanonical (Passed)
Build: devel Linux-ifort-MPI_no5D NEWCORR (dell15) on 2024-03-20 05:16:35
Repository revision: 3d79e89922e83ded1dd9fe7689d30b45567bd6ef

Energy 1l2y_micro

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Test output

CTEST_FULL_OUTPUT
Bye Bye...
Bye Bye...
 2  
    
 2  
    
 indpdb=           0  pdbref= T
 ns=           0
 Call Read_Bridge.
 ns=           0
 Processor           1  CG group           0  absolute rank           1 
  leves ERGASTULUM.
 Processor           1  wait times for respective orders order[           0 ]
  0.744564533233643       order[           1 ]  0.107440710067749       order[
           2 ]  0.000000000000000E+000  order[           3 ]
  0.000000000000000E+000  order[           4 ]   1.13168072700500       order[
           5 ]  0.000000000000000E+000  order[           6 ]
  0.000000000000000E+000  order[           7 ]  0.372355222702026       order[
           8 ]  0.000000000000000E+000  order[           9 ]
  0.000000000000000E+000  order[          10 ]  0.000000000000000E+000
 Total wall clock time   12.3458609580994       sec
 Processor           0  BROADCAST time  0.153609514236450       REDUCE time
  0.930753231048584       GATHER time  0.000000000000000E+000  SCATTER time
  6.604743003845215E-002  SENDRECV  0.000000000000000E+000  BARRIER ene
  0.580541133880615       BARRIER grad  8.782577514648438E-002
CG processor   0 is finishing work.
average total energy  188.051
standard deviation  0.0024414