[gmx-users] x86 SSE

Osmany Guirola Cruz osmany.guirola at cigb.edu.cu
Fri Dec 26 14:16:01 CET 2003

 I am doing a simulation on multiple machine 8 and my md.log give me these error 

Started mdrun on node 0 Fri Dec 26 02:53:28 2003
Initial temperature: 299.966 K
Grid: 24 x 24 x 24 cells

Testing x86 processor CPUID...

Testing x86 SSE2 capabilities...
No SSE2 support found for this CPU.
           Step           Time         Lambda      Annealing
              0        0.00000        0.00000        1.00000

   Rel. Constraint Deviation:  Max    between atoms     RMS
       Before LINCS         0.014437     61     62   nan
        After LINCS         0.000000      1      2   nan

   Energies (kJ/mol)
       G96Angle    Proper Dih.  Improper Dih.          LJ-14     Coulomb-14
    3.52659e+03    1.82274e+03    1.09959e+03    6.50594e+02    2.68827e+04
        LJ (SR)   Coulomb (SR)   Coulomb (LR)      Potential    Kinetic En.
    2.77323e+05   -4.45936e+06            nan            nan            nan
   Total Energy    Temperature Pressure (bar)
            nan            nan            nan

Grid: -2147483648 x -2147483648 x -2147483648 cells
Fatal error: ci = -1 should be in 0 .. -1 [FILE nsgrid.c, LINE 210]


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