<div>Thanks Mark</div>
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<div>But there's no standard error output at all for my problem, it seems mdrun stagnated at this point, I dont know if anybody had met this situation before...and now I'm compiling LAMMPI as you suggested, hope this works for me.
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<div><span class="gmail_quote">On 10/1/07, <b class="gmail_sendername">Mark Abraham</b> <<a href="mailto:Mark.Abraham@anu.edu.au">Mark.Abraham@anu.edu.au</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">liu xin wrote:<br>> Dear GMXers<br>><br>> my mdrun stops when I try to do it with 8 nodes, but there's no error
<br>> message, here's the end of the md0.log:<br><br>The log file won't be helpful if the problem is outside of GROMACS, and<br>the fact that it isn't helpful is strongly diagnostic of that. You need<br>the standard error to diagnose what your system problem is.
<br><br>> "B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije<br>> LINCS: A Linear Constraint Solver for molecular simulations<br>> J. Comp. Chem. 18 (1997) pp. 1463-1472<br>> -------- -------- --- Thank You --- -------- --------
<br>><br>><br>> Initializing LINear Constraint Solver<br>> number of constraints is 3632<br>> average number of constraints coupled to one constraint is 2.9"<br>><br>><br>> I also tried 6 nodes or 10 nodes, but mdrun always stops here, there's
<br>> no problem if I ran it by -np 4.<br>> I searched the list, I found some people said that this probably because<br>> the MPI version, currently, we used the 1.2.7<br><br>MPICH for GROMACS is not supported at all. Try LAM if you suspect the
<br>MPI install, and I would suspect it.<br><br>Mark<br>_______________________________________________<br>gmx-users mailing list <a href="mailto:gmx-users@gromacs.org">gmx-users@gromacs.org</a><br><a href="http://www.gromacs.org/mailman/listinfo/gmx-users">
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