Hi Ross,
I think the problem (at least as far as the new NEB code goes) may be an
unfortunately placed "stop" statement in parallel.f in the fdist subroutine
right around line 345. Comment that out and the tests are fine.
-Dan
On Fri, Mar 5, 2010 at 9:51 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Dear All,
>
> The AMBER cvs tree is currently completely hosed in parallel. All test
> cases
> segfault right now. Thus I have locked the CVS tree until I can work out
> why.
>
> The first culprit is the checkin around 4pm today:
>
> Log Message:
> qtw: Add PM3MM*ESCF for PM3/MM*.
>
> This contains code that cannot possibly work in parallel due to bcasts of
> unallocated arrays etc. I will be reversing out this commit.
>
> However, the tree prior to this commit also segfaults I suspect because of
> this commit:
>
> Modified Files:
> dynlib.f egb.f ene.f ene_decomp.h ew_directe.h ew_force.f
> force.f mdread.f parallel.f pimd_force.f pimd_init.f
> pimd_vars.f runmd.f sander.f short_ene.f
> Log Message:
> update from carlos for NEB changes
>
> I will likely reverse this out as well to get us back to a working tree.
>
> I'll send a message to the list once the tree is open for commits again.
>
> All the best
> Ross
>
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
>
>
>
> _______________________________________________
> AMBER-Developers mailing list
> AMBER-Developers.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber-developers
>
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Fri Mar 05 2010 - 20:30:03 PST
