Execution Time0.01s

Test: XDRF2PDB-three (Passed)
Build: Linux-ifort-noMPI E0LL2Y (dell15) on 2024-10-31 03:08:41

Processors[Graph]1

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Test output
 nnt           2  nct          11
 file
 ala10MD.cx                                                                     
  
 iret           1
 is           1  ie  1000000000
 time   89.66093      iret           1
 potE  -8.835434      uconst  0.0000000E+00
 uconst_back  6.952507009518618E-310
 t_bath   300.0000    
 nss           0
    
 nfrag           0
 time   167.9078      iret           1
 potE  -6.943595      uconst  0.0000000E+00
 uconst_back  6.952507009518618E-310
 t_bath   300.0000    
 nss           0
    
 nfrag           0
 time   246.4109      iret           1
 potE   1.056895      uconst  0.0000000E+00
 uconst_back  6.952507009518618E-310
 t_bath   300.0000    
 nss           0
    
 nfrag           0
 time   314.4875      iret           1
 potE  -2.465916      uconst  0.0000000E+00
 uconst_back  6.952507009518618E-310
 t_bath   300.0000    
 nss           0
    
 nfrag           0
 time   387.4813      iret           1
 potE  -6.699165      uconst  0.0000000E+00
 uconst_back  6.952507009518618...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.