[gmx-users] x86 SSE

[Osmany Guirola Cruz]

I minimized the system


-----Original Message-----
From: Marc Ceruso [mailto:mceruso at physbio.mssm.edu] 
Sent: Saturday, December 27, 2003 12:17 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] x86 SSE


Hi- try minimizing your system first. That error is typical of strained
systems. M On Fri, 26 Dec 2003, Osmany Guirola Cruz wrote:

> Hi
>  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]
>
> WHAT CAN I DO
>
>
>

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