[gmx-users] low CPU load percentages on 16 core box with CentOS4.4

[Makoto Yoneya]

Dear Mark:

Thank you for your quick comment.

> Well this looks like a classic problem of incompatibility of your
> hardware and these lam versions that is not arising for MPICH. You
> should look for help there, since the problem is not arising because of
> gromacs - unless you can demonstrate lam works correctly on your
> hardware for other parallel software.

OK, I should check our installation of lam itself as suggested.

> > However, the test simulation results looked different (e.g. densities of
the
> > system) with lam and mpich2 (I should check more).
> > How can I solve this situation?

> It sounds like gromacs+MPICH is working fine...

Then, MPICH (same as MPICH2?) is safer to use (lam is dangerous) for a new
hardware?

Thank you again.

Makoto Yoneya, Dr.
AIST, Japan