Re: amber-developers: xray: new wrinkle on neb/pimd/les old creased face

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Thu, 18 Oct 2007 20:46:28 -0400

I've also sent out requests for info on nebrms, several times, with no reply.
I'm tempted to remove all of this code if nobody owns it or knows why
it is there.
carlos

On 10/18/07, Scott Brozell <sbrozell.scripps.edu> wrote:
> Hi,
>
> sander.MPI fails to build with configure -lam g95
>
> mpif77 -c -O3 -fno-second-underscore -march=nocona -ffree-form -o force.o _force.f
> In file _force.f:2041
> call mpi_reduce(nebrms,etmp,1,MPI_DOUBLE_PRECISION, &
> 1
> Error: Symbol 'nebrms' at (1) is defined in multiple modules
>
>
> Those modules are nebmodule and pimd_vars.
> The error was introduced into force.f in
> revision 9.43
> date: 2007/10/15 18:01:19; author: xueli; state: Exp; lines: +14 -0
> Add XRAY Target Function and Gradient
>
>
> I shall not lay my hands on this house of cards.
> And I repeat my request for a code inspection of LES/PIMD/NEB
> (since I do not see any evidence that previous requests were heeded).
>
> Scott
>
> ---------- Forwarded message ----------
> Date: Tue, 18 Sep 2007 14:50:16 -0700
> From: Scott Brozell <sbrozell.scripps.edu>
> Subject: Re: amber-developers: neb test case
>
> Hi Carlos,
>
> I second (or third or 4th or ...) your request for someone
> to thoroughly inspect the LES/PIMD/NEB code.
> .
> .
> .
>


-- 
===================================================================
Carlos L. Simmerling, Ph.D.
Associate Professor                 Phone: (631) 632-1336
Center for Structural Biology       Fax:   (631) 632-1555
CMM Bldg, Room G80
Stony Brook University              E-mail: carlos.simmerling.gmail.com
Stony Brook, NY 11794-5115          Web: http://comp.chem.sunysb.edu
===================================================================
Received on Sun Oct 21 2007 - 06:07:38 PDT
Custom Search