amber-developers: code problem, anybody know about this one?

From: Michael Crowley <>
Date: Fri, 29 Oct 2004 12:39:00 -0700

Dear Developers,
Nice to see all that came to the meeting at Stony Brook,
Many thanks to Carlos!!!

Here is a bit of code that is clearly problematic wrt ierr variable.
The intended check shows that there
is code missing that would have set ierr to something, I think.
I am going to delete the ierr stuff, but if someone knows whether it
needs to be there with whatever would have set it, please inform.

On IBM/AIX/mpxlf90_r, ierr is 1 sometimes, and causes the rdc/dip test to
bomb in a way that has taken me a ridiculous amount of time to debug.



!+ [Enter a one-line description of subroutine alignread here]
subroutine alignread(natom,x)

   implicit none
   integer natom
   _REAL_ x(*)
# include "nmr.h"
# include "files.h"
# include "md.h"
   character(len=80) line
   logical freezemol
   integer ierr, iin, ifind, i, iof
   namelist /align/ ndip, id, jd, dobsu, dobsl, dataset, &
         num_datasets, s11,s22,s12,s13,s23,dcut,gigj,dij,dwt, &

   ! If restraint input has been redirected, open the appropriate file

   call amopen(37,redir(8)(1:iredir(8)),'O','F','R')
   iin = 37
   write(6,10) redir(8)(1:iredir(8))
   10 format(' Alignment info will be read from file: ',a)
   if (ierr == 1) call mexit(6,1)

Physical mail: Dr. Michael F. Crowley
                 Department of Molecular Biology, TPC6
                 The Scripps Research Institute
                 10550 North Torrey Pines Road
                 La Jolla, California 92037

Electronic mail:
Telephone: 858/784-9290
Fax: 858/784-8688
Received on Wed Apr 05 2006 - 23:50:00 PDT
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