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  • 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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Lines of Context:
src/nwpw/pspw/kbpp/integrate_d_stress.F
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*
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* $Id: integrate_d_stress.F,v 1.1 2008-03-17 17:53:57 bylaska Exp $
 
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* $Id: integrate_d_stress.F 21516 2011-11-12 03:54:03Z bylaska $
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*
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*     **********************************
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           DD=P3*SIMP(nrho,F,drho)
168
168
 
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           lcount = lcount-1
170
 
           T = gx*(4.0d0*gx*gx - 3.0d0*(1.0d0-gz*gz))/dsqrt(24.0d0)
171
 
           dTdux = (12.0d0*gx*gx-3.0d0*(1.0d0-gz*gz))/dsqrt(24.0d0)
172
 
           dTduy = 0.0d0
173
 
           dTduz = 6.0d0*gx*gz/dsqrt(24.0d0)
174
 
           sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
175
 
           sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
176
 
           sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
177
 
           dvnl(k1,1,lcount)=DD*T*gx + D*sumx
178
 
           dvnl(k1,2,lcount)=DD*T*gy + D*sumy
179
 
           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
180
 
 
181
 
           lcount = lcount-1
182
170
           T = gy*(3.0d0*(1.0d0-gz*gz)-4.0d0*gy*gy)/dsqrt(24.0d0)
183
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           dTdux = 0.0d0
184
172
           dTduy = (3.0d0*(1.0d0-gz*gz)-12.0d0*gy*gy)/dsqrt(24.0d0)
191
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           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
192
180
 
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           lcount = lcount-1
194
 
           T =gz*(gx*gx - gy*gy)/2.0d0 
195
 
           dTdux =  gx*gz
196
 
           dTduy = -gy*gz
197
 
           dTduz = (gx*gx-gy*gy)/2.0d0
198
 
           sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
199
 
           sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
200
 
           sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
201
 
           dvnl(k1,1,lcount)=DD*T*gx + D*sumx
202
 
           dvnl(k1,2,lcount)=DD*T*gy + D*sumy
203
 
           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
204
 
 
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           lcount = lcount-1
206
182
           T =gx*gy*gz 
207
183
           dTdux = gy*gz
208
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           dTduy = gx*gz
215
191
           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
216
192
 
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193
           lcount = lcount-1
218
 
           T =  gx*(5.0d0*gz*gz-1.0d0)/dsqrt(40.0d0) 
219
 
           dTdux = (5.0d0*gz*gz-1.0d0)/dsqrt(40.0d0)
220
 
           dTduy = 0.0d0
221
 
           dTduz = 10.0d0*gx*gz/dsqrt(40.0d0)
222
 
           sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
223
 
           sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
224
 
           sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
225
 
           dvnl(k1,1,lcount)=DD*T*gx + D*sumx
226
 
           dvnl(k1,2,lcount)=DD*T*gy + D*sumy
227
 
           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
228
 
 
229
 
           lcount = lcount-1
230
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           T = gy*(5.0d0*gz*gz-1.0d0)/dsqrt(40.0d0)
231
195
           dTdux = 0.0d0
232
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           dTduy =(5.0d0*gz*gz-1.0d0)/dsqrt(40.0d0)
249
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           dvnl(k1,1,lcount)=DD*T*gx + D*sumx
250
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           dvnl(k1,2,lcount)=DD*T*gy + D*sumy
251
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           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
 
216
 
 
217
           lcount = lcount-1
 
218
           T =  gx*(5.0d0*gz*gz-1.0d0)/dsqrt(40.0d0) 
 
219
           dTdux = (5.0d0*gz*gz-1.0d0)/dsqrt(40.0d0)
 
220
           dTduy = 0.0d0
 
221
           dTduz = 10.0d0*gx*gz/dsqrt(40.0d0)
 
222
           sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
 
223
           sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
 
224
           sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
 
225
           dvnl(k1,1,lcount)=DD*T*gx + D*sumx
 
226
           dvnl(k1,2,lcount)=DD*T*gy + D*sumy
 
227
           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
 
228
 
 
229
           lcount = lcount-1
 
230
           T =gz*(gx*gx - gy*gy)/2.0d0 
 
231
           dTdux =  gx*gz
 
232
           dTduy = -gy*gz
 
233
           dTduz = (gx*gx-gy*gy)/2.0d0
 
234
           sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
 
235
           sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
 
236
           sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
 
237
           dvnl(k1,1,lcount)=DD*T*gx + D*sumx
 
238
           dvnl(k1,2,lcount)=DD*T*gy + D*sumy
 
239
           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
 
240
 
 
241
           lcount = lcount-1
 
242
           T = gx*(4.0d0*gx*gx - 3.0d0*(1.0d0-gz*gz))/dsqrt(24.0d0)
 
243
           dTdux = (12.0d0*gx*gx-3.0d0*(1.0d0-gz*gz))/dsqrt(24.0d0)
 
244
           dTduy = 0.0d0
 
245
           dTduz = 6.0d0*gx*gz/dsqrt(24.0d0)
 
246
           sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
 
247
           sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
 
248
           sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
 
249
           dvnl(k1,1,lcount)=DD*T*gx + D*sumx
 
250
           dvnl(k1,2,lcount)=DD*T*gy + D*sumy
 
251
           dvnl(k1,3,lcount)=DD*T*gz + D*sumz
252
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        end if
253
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254
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          DD=P2*SIMP(nrho,F,drho)
275
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          lcount = lcount-1
277
 
          T = (3.0d0*gz*gz-1.0d0)/(2.0d0*dsqrt(3.0d0)) 
278
 
          dTdux = 0.0d0
279
 
          dTduy = 0.0d0
280
 
          dTduz = 6.0d0*gz/(2.0d0*dsqrt(3.0d0))
281
 
          sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
282
 
          sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
283
 
          sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
284
 
          dvnl(k1,1,lcount)=DD*T*gx + D*sumx
285
 
          dvnl(k1,2,lcount)=DD*T*gy + D*sumy
286
 
          dvnl(k1,3,lcount)=DD*T*gz + D*sumz
287
 
 
288
 
          lcount = lcount-1
289
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          T = gx*gy
290
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          dTdux = gy
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          dTduy = gx
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          dvnl(k1,3,lcount)=DD*T*gz + D*sumz
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          lcount = lcount-1
 
301
          T = (3.0d0*gz*gz-1.0d0)/(2.0d0*dsqrt(3.0d0)) 
 
302
          dTdux = 0.0d0
 
303
          dTduy = 0.0d0
 
304
          dTduz = 6.0d0*gz/(2.0d0*dsqrt(3.0d0))
 
305
          sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
 
306
          sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
 
307
          sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
 
308
          dvnl(k1,1,lcount)=DD*T*gx + D*sumx
 
309
          dvnl(k1,2,lcount)=DD*T*gy + D*sumy
 
310
          dvnl(k1,3,lcount)=DD*T*gz + D*sumz
 
311
 
 
312
          lcount = lcount-1
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          T = gz*gx
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          dTdux = gz
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          dTduy = 0.0d0
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           PP=P1*SIMP(nrho,F,drho)
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           lcount = lcount-1
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           T = gx
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           dTdux = 1.0d0
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           dTduy = 0.0d0
358
 
           dTduz = 0.0d0
359
 
           sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
360
 
           sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
361
 
           sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
362
 
           dvnl(k1,1,lcount)= PP*T*gx + P*sumx
363
 
           dvnl(k1,2,lcount)= PP*T*gy + P*sumy
364
 
           dvnl(k1,3,lcount)= PP*T*gz + P*sumz
365
 
 
366
 
 
367
 
           lcount = lcount-1
368
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           T = gy
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           dTdux = 0.0d0
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           dTduy = 1.0d0
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           dvnl(k1,1,lcount)= PP*T*gx + P*sumx
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           dvnl(k1,2,lcount)= PP*T*gy + P*sumy
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           dvnl(k1,3,lcount)= PP*T*gz + P*sumz
 
377
 
 
378
           lcount = lcount-1
 
379
           T = gx
 
380
           dTdux = 1.0d0
 
381
           dTduy = 0.0d0
 
382
           dTduz = 0.0d0
 
383
           sumx = dTdux*duxdGx + dTduy*duydGx + dTduz*duzdGx
 
384
           sumy = dTdux*duxdGy + dTduy*duydGy + dTduz*duzdGy
 
385
           sumz = dTdux*duxdGz + dTduy*duydGz + dTduz*duzdGz
 
386
           dvnl(k1,1,lcount)= PP*T*gx + P*sumx
 
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           dvnl(k1,2,lcount)= PP*T*gy + P*sumy
 
388
           dvnl(k1,3,lcount)= PP*T*gz + P*sumz
 
389
 
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        end if
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*::::::::::::::::::::::::::::::  s-wave  :::::::::::::::::::::::::::::::