[gmx-users] Ewald sum./Open BSD

[Yuguang Mu]

In my linux version of GROMACS 3.1.4, PME works well.
But if I want to check Ewald sum, it cracks without further output, which
stopped at (in log file)


Initializing LINear Constraint Solver
  number of constraints is 5
  average number of constraints coupled to one constraint is 1.2

   Rel. Constraint Deviation:  Max    between atoms     RMS
       Before LINCS         0.000000      1      2   0.000000
        After LINCS         0.000000      5      6   0.000000


Constraining the coordinates at t0-dt (step -1)
   Rel. Constraint Deviation:  Max    between atoms     RMS
       Before LINCS         0.000000      5      6   0.000000
        After LINCS         0.000000      5      6   0.000000

Started mdrun on node 0 Wed Jun 11 17:10:09 2003
Initial temperature: 7.53908e-11 K
Grid: 6 x 6 x 6 cells



Dr. Yuguang Mu
Institute for Physical and Theoretical Chemistry
J.W. Goethe University Frankfurt am Main
Marie Curie Str. 11
60439 Frankfurt/Main, Germany
Tel: +49-(0)69-798-29711