Execution Time0.01s

Test: XDRF2PDB-M-one (Passed)
Build: Linux-ifort-MPI E0LL2Y (dell15) on 2024-11-01 03:09:39

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Test output
 nnt           1  nct           1
 time   2000.000      iret           1
 potE  -26.88221      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.000      iret           1
 potE  -26.86605      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.000      iret           1
 potE  -26.84138      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.000      iret           1
 potE  -26.84607      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isize          42
 time   2000.000      iret           1
 potE  -26.90870      uconst  0.0000000E+00  t_bath   2.000000    
 nss           0
    
 nfrag           0 iset           0
  call xdrf3coord
 isi...
The rest of the test output was removed since it exceeds the threshold of 1024 bytes.