<div>Dear GMXers<br><br>my mdrun stops when I try to do it with 8 nodes, but there's no error message, here's the end of the md0.log:<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 no problem if I ran it by -np 4.</div>
<div>I searched the list, I found some people said that this probably because the MPI version, currently, we used the 1.2.7</div>
<div>It is weird that another cluster, install mpich1.2.7, goes well with mdrun.</div>
<div>I also installed mpich2 in my personal directory (I have no administrator privilege on the cluster...), but it keeps on complaining the "mpd" setting, though I created a .mpd.conf file as it told me in my home directory.
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<div>Should I install mpich2 by root? Is there any conflict if I installed both mpich1 and mpich2?</div>
<div>I've searched the list but cant find something useful to solve my problem</div>
<div>Any suggestions will be REALLY appreciated!</div>
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<div>Xin Liu</div>