Mike -
I have amber 8 and 9 trees, and it looks like someone changed the opnmrg()
call to an amopen() call; since amopen() returns no status, ierr is
uninitialized (opnmrg() used to set ierr). I presume the open error is
now
handled in the guts of amopen() but did not look; anyway, ierr sure looks
obsolete to me, and the code related to it should have been wiped when
opnmrg() was changed.
Regards - Bob
----- Original Message -----
From: "Michael Crowley" <crowley.scripps.edu>
To: <amber-developers.scripps.edu>
Sent: Friday, October 29, 2004 3:39 PM
Subject: amber-developers: code problem, anybody know about this one?
> 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.
>
> THanks,
> Mike
>
> src/sander/align.f
>
> !+++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> !+ [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, &
> freezemol
>
> ! 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: crowley.scripps.edu
> Telephone: 858/784-9290
> Fax: 858/784-8688
> -----------------------------------------------------------------
>
>
>
Received on Wed Apr 05 2006 - 23:50:00 PDT
