[gmx-users] GROMACS 4.5.3 simulation stop without mesages in Ubuntu 10.10

Alcides Nicastro alcides_nicastro at yahoo.com.ar
Fri Apr 22 16:20:59 CEST 2011


Users:I'm running a simulation of a lipid bilayer. At some point (sometimes close to the steps 300000-500000) the terminal fails to inform the development of simulation and the files stop writing, but the processors are fully occupied. There is no message for this.

Details:
128 DPPC bilayer with 3655 water molecules
Intel i3 processor.

Ubuntu 10.10 64 bits
GROMACS 4.5.3
LAM 7.1.4 ( -np 2 for simulations)

I appreciate any help.
Best regards,



Lic. Alcides Nicastro 
Departamento de Física 
Fac. de Bioq. y Cs. Biológicas 
Universidad Nacional del Litoral
3000 - Santa Fe - Argentina
Tel. trabajo: 0342-4575213
Tel. particular: 0342-4539185
ó 0342-155471071
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