[gmx-users] MPIRUN problem when switched to 8 np (searched the list)

[liu xin]

Dear GMXers

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:

"B. Hess and H. Bekker and H. J. C. Berendsen and J. G. E. M. Fraaije
LINCS: A Linear Constraint Solver for molecular simulations
J. Comp. Chem. 18 (1997) pp. 1463-1472
-------- -------- --- Thank You --- -------- --------


Initializing LINear Constraint Solver
  number of constraints is 3632
  average number of constraints coupled to one constraint is 2.9"


I also tried 6 nodes or 10 nodes, but mdrun always stops here, there's no
problem if I ran it by -np 4.
I searched the list, I found some people said that this probably because the
MPI version, currently, we used the 1.2.7
It is weird that another cluster, install mpich1.2.7, goes well with mdrun.
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.
Should I install mpich2 by root? Is there any conflict if I installed both
mpich1 and mpich2?
I've searched the list but cant find something useful to solve my problem
Any suggestions will be REALLY appreciated!

Xin Liu
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