[gmx-users] x86 SSE
Osmany Guirola Cruz
osmany.guirola at cigb.edu.cu
Fri Dec 26 14:16:01 CET 2003
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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