RE: [AMBER-Developers] CVS Tree Locked

From: Ross Walker <>
Date: Fri, 5 Mar 2010 20:33:32 -0800

Hi Dan,

> 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.

That's part of it. There are issues with the PBSA checkins as well.

Updates to common blocks in box.h and flocntrl.h but they never bothered to
update the BC_BOXI and similar defines in the header files so the mpi
broadcasts are the wrong lengths...

It sure would save a lot of time if people tested the code before checking
it in.

I'll have the updates in shortly.

All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | |

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
Received on Fri Mar 05 2010 - 21:00:02 PST
Custom Search