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Viewing changes to src/task/task_num_grad.F

  • Committer: Package Import Robot
  • Author(s): Michael Banck, Michael Banck, Daniel Leidert
  • Date: 2012-02-09 20:02:41 UTC
  • mfrom: (1.1.1)
  • Revision ID: package-import@ubuntu.com-20120209200241-jgk03qfsphal4ug2
Tags: 6.1-1
http://bugs.debian.org/632611
https://launchpad.net/bugs/791308
* New upstream release.

[ Michael Banck ]
* debian/patches/02_makefile_flags.patch: Updated.
* debian/patches/02_makefile_flags.patch: Use internal blas and lapack code.
* debian/patches/02_makefile_flags.patch: Define GCC4 for LINUX and LINUX64
  (Closes: #632611 and LP: #791308).
* debian/control (Build-Depends): Added openssh-client.
* debian/rules (USE_SCALAPACK, SCALAPACK): Removed variables (Closes:
  #654658).
* debian/rules (LIBDIR, USE_MPIF4, ARMCI_NETWORK): New variables.
* debian/TODO: New file.
* debian/control (Build-Depends): Removed libblas-dev, liblapack-dev and
  libscalapack-mpi-dev.
* debian/patches/04_show_testsuite_diff_output.patch: New patch, shows the
  diff output for failed tests.
* debian/patches/series: Adjusted.
* debian/testsuite: Optionally run all tests if "all" is passed as option.
* debian/rules: Run debian/testsuite with "all" if DEB_BUILD_OPTIONS
  contains "checkall".

[ Daniel Leidert ]
* debian/control: Used wrap-and-sort. Added Vcs-Svn and Vcs-Browser fields.
  (Priority): Moved to extra according to policy section 2.5.
  (Standards-Version): Bumped to 3.9.2.
  (Description): Fixed a typo.
* debian/watch: Added.
* debian/patches/03_hurd-i386_define_path_max.patch: Added.
  - Define MAX_PATH if not defines to fix FTBFS on hurd.
* debian/patches/series: Adjusted.

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src/task/task_num_grad.F
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#include "mafdecls.fh"
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      integer rtdb
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*
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* $Id: task_num_grad.F,v 1.40 2008-03-03 20:09:05 niri Exp $
 
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* $Id: task_num_grad.F 19973 2011-02-18 17:24:17Z marat $
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*
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#include "inp.fh"
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      logical analytic
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      external task_energy, num_grad
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      character*128 ename, gname
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      character*32 theory
 
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      logical ocons
 
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      logical cons_active
 
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      external cons_active
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c
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c check for analytic user input 
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c
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     &       RTDB_ERR)
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         endif
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      endif
 
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      ocons = cons_active(rtdb)
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c
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      if (.not. rtdb_cget(rtdb, 'task:theory', 1, theory))
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     $     call errquit('num_grad: theory missing?',0, RTDB_ERR)
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c
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      write(ename,'(a,'':energy'')') theory(1:inp_strlen(theory))
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      write(gname,'(a,'':gradient'')') theory(1:inp_strlen(theory))
 
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      if(ocons) then
 
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        ename ="task:energy"
 
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      end if
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C
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      task_num_grad = num_grad(rtdb, task_energy,
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     $   ename(1:inp_strlen(ename)), gname(1:inp_strlen(gname)),