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Viewing changes to src/nwpw/pspw/task_pspw.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
* 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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* $Id: task_pspw.F,v 1.15 2008-11-03 06:06:10 bylaska Exp $
 
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* $Id: task_pspw.F 19707 2010-10-29 17:59:36Z d3y133 $
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      logical function task_pspw(rtdb)
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      logical  psp_formatter,wvfnc_init,cpsdv5,cpmdv5,cgsdv5,cgmdv5
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      logical  v_wvfnc_init,wvfnc_expander,cell_optimize,mmsdv1,mmmdv1
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      logical  pspw_dplot,pspw_stress,pspw_noit_energy,cpmdv6
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      logical  pspw_wannier,expand_cell,wvfnc_ionize
 
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      logical  pspw_wannier,pspw_wannier_old,expand_cell,wvfnc_ionize
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      logical  wvfnc_convert_restricted,nwpw_rdf
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      external psp_formatter,wvfnc_init,cpsdv5,cpmdv5,cgsdv5,cgmdv5
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      external v_wvfnc_init,wvfnc_expander,cell_optimize,mmsdv1,mmmdv1
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      external pspw_dplot,pspw_stress,pspw_noit_energy,cpmdv6
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      external pspw_wannier,expand_cell,wvfnc_ionize
 
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      external pspw_wannier,pspw_wannier_old,expand_cell,wvfnc_ionize
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      external wvfnc_convert_restricted,nwpw_rdf
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c
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c
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 1400 if (ga_nodeid().eq.MASTER) then
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        write(*,*)  ">>>> PSPW Parallel Module - Wannier <<<<"
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      end if
 
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      if (.not.rtdb_get(rtdb,'nwpw:wannier_old',mt_log,1,dummy))
 
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     >  dummy = .false.
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      value = .true.
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      value = rtdb_parallel(.true.)
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      value = pspw_wannier(rtdb)
 
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      if (dummy) then
 
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         value = pspw_wannier_old(rtdb)
 
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      else
 
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         value = pspw_wannier(rtdb)
 
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      end if
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      call ga_sync()
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      goto 9999
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