Execution Time0.01s

Test: XDRF2PDB-M-one (Passed)
Build: homology Linux-pgi-MPI E0LL2Y (dell15) on 2024-03-30 04:37:03
Repository revision: e5301131661f6c05ad36e8aceadd77d37334772a


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Test output
 nnt            1  nct            1
 time    2000.000      iret            1
 potE   -26.88221      uconst    0.000000      t_bath    2.000000    
 nss            0
    
 nfrag            0 iset            0
  call xdrf3coord
 isize           42
 time    2000.000      iret            1
 potE   -26.86605      uconst    0.000000      t_bath    2.000000    
 nss            0
    
 nfrag            0 iset            0
  call xdrf3coord
 isize           42
 time    2000.000      iret            1
 potE   -26.84138      uconst    0.000000      t_bath    2.000000    
 nss            0
    
 nfrag            0 iset            0
  call xdrf3coord
 isize           42
 time    2000.000      iret            1
 potE   -26.84607      uconst    0.000000      t_bath    2.000000    
 nss            0
    
 nfrag            0 iset            0
  call xdrf3coord
 isize           42
 time    2000.000      iret            1
 potE   -26.90870      uconst    0.000000      t_bath    2.000000    
 nss            0
    
 nfrag        ...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.