Execution Time0.00s

Test: XDRF2PDB-three (Passed)
Build: Linux-gfortran-noMPI E0LL2Y (dell15) on 2024-11-03 03:07:53

Processors[Graph]1

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Test output
 nnt           2  nct          11
 fileala10MD.cx                                                                      
 iret           1
 is           1  ie  1000000000
 time   89.6609344      iret           1
 potE  -8.83543396      uconst   0.00000000    
 uconst_back   0.0000000000000000     
 t_bath   300.000000    
 nss           0
    
 nfrag           0
 time   167.907806      iret           1
 potE  -6.94359493      uconst   0.00000000    
 uconst_back   0.0000000000000000     
 t_bath   300.000000    
 nss           0
    
 nfrag           0
 time   246.410934      iret           1
 potE   1.05689478      uconst   0.00000000    
 uconst_back   0.0000000000000000     
 t_bath   300.000000    
 nss           0
    
 nfrag           0
 time   314.487488      iret           1
 potE  -2.46591592      uconst   0.00000000    
 uconst_back   0.0000000000000000     
 t_bath   300.000000    
 nss           0
    
 nfrag           0
 time   387.481262      iret           1
 potE  -6.69916487      uconst   0.00...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.