amber-developers: State of NEB in AMBER10?

From: Ross Walker <>
Date: Mon, 23 Apr 2007 20:15:07 -0700

Hi All,

It seems that someone has removed the sander.PIMD.MPI target from the
Amber10 makefile and has also commented out all of the test cases. This
renders NEB simulations in amber10 impossible...

What is the status of NEB now in amber10?

Why have all the test cases been commented out?

I have a number of production NEB simulations I want to run over the next
month for which I was planning to use the Amber 10 distribution - since the
performance of the Amber 9 NEB sucks. Can someone please let me know what is
the current status and when it will be working again / how to get it

If not can you please let me know the last CVS date on which it worked and
was verified to give the correct answer so I can check that out.

All the best

|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- |
| | PGP Key available on request |

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Received on Wed Apr 25 2007 - 06:07:26 PDT
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