Ian Stokes-Rees wrote:
Hi Mark,
Mark Abraham wrote:
Terminology - GROMACS is not threaded, but uses MPI processes for
parallelism.
Yes, I gathered that.
I have an MPI-compiled version of gromacs v4.0 and am attempting to
get parallel execution on a 2x2 core AMD Opteron system via:
$ lamboot
$ mdrun -np 4 -s ../1WOM.tpr -v -N 4
-N does nothing, and -np is no longer accepted - as you'd know from
reading mdrun -h, right?
That is a bit of a condecending way of putting it. If I knew -N did
nothing and -np was no longer accepted, then of course I would not have
used them. In fact, I was reading the documentation from a file called
"manual-4.0.pdf" which stated:
"
If you have a single machine with multiple processors you don’t have to
use the mpirun com-
mand, but you can do with an extra option to mdrun:
% mdrun -np 8 -s topol -v -N 8
"
so that is where I took the example from. I think this PDF was linked
from the gromacs "documentation" section of the website.
Hmmm that's been in the documentation since v3.3 and I've never seen
code that might make it work. That looks like a documentation error.
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
