Execution Time0.01s

Test: XDRF2PDB-one (Passed)
Build: devel Linux-pgi-MPI E0LL2Y (dell15) on 2020-03-15 19:47:04
Repository revision: b6e44584752243911a717a94aa770b3c1f52f3b8


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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    0.000000    
 uconst_back    0.000000000000000     
 t_bath    300.0000    
 nss            0
 nfrag            0
 time    167.9078      iret            1
 potE   -6.943595      uconst    0.000000    
 uconst_back    0.000000000000000     
 t_bath    300.0000    
 nss            0
 nfrag            0
 time    246.4109      iret            1
 potE    1.056895      uconst    0.000000    
 uconst_back    0.000000000000000     
 t_bath    300.0000    
 nss            0
 nfrag            0
 time    314.4875      iret            1
 potE   -2.465916      uconst    0.000000    
 uconst_back    0.000000000000000     
 t_bath    300.0000    
 nss            0
 nfrag            0
 time    387.4813      iret            1
 potE   -6.699165      uconst    0.000000    
 uconst_...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.