14
14
acknowledgments of the ABINIT effort.
15
15
For more information, see http://www.abinit.org .
17
.Starting date : Thu 22 Mar 2012.
17
.Starting date : Fri 10 Aug 2012.
20
- input file -> /home/gonze/ABINIT/ABINITv6.13.2/trunk/6.13.2-training/tests/paral/Input/tE.in
20
- input file -> /home/buildbot/ABINIT/testf_gcc44/trunk_6.15.2-private/tests/paral/Input/tE.in
21
21
- output file -> tE4.out
22
22
- root for input files -> tE.i
23
23
- root for output files -> tE4.o
428
428
--- Pseudopotential description ------------------------------------------------
429
- pspini: atom type 1 psp file is /home/gonze/ABINIT/ABINITv6.13.2/trunk/6.13.2-training/tests/Psps_for_tests/31ga.SGS_mod
430
- pspatm: opening atomic psp file /home/gonze/ABINIT/ABINITv6.13.2/trunk/6.13.2-training/tests/Psps_for_tests/31ga.SGS_mod
429
- pspini: atom type 1 psp file is /home/buildbot/ABINIT/testf_gcc44/trunk_6.15.2-private/tests/Psps_for_tests/31ga.SGS_mod
430
- pspatm: opening atomic psp file /home/buildbot/ABINIT/testf_gcc44/trunk_6.15.2-private/tests/Psps_for_tests/31ga.SGS_mod
431
431
- pspot from prpsa - Bachelet or Stumpf table ( !! OLD, only for tests )
432
432
- 31.00000 3.00000 900101 znucl, zion, pspdat
433
433
5 3 2 2 267 0.00000 pspcod,pspxc,lmax,lloc,mmax,r2well
446
446
pspatm: atomic psp has been read and splines computed
448
- pspini: atom type 2 psp file is /home/gonze/ABINIT/ABINITv6.13.2/trunk/6.13.2-training/tests/Psps_for_tests/33as.SGS_mod
449
- pspatm: opening atomic psp file /home/gonze/ABINIT/ABINITv6.13.2/trunk/6.13.2-training/tests/Psps_for_tests/33as.SGS_mod
448
- pspini: atom type 2 psp file is /home/buildbot/ABINIT/testf_gcc44/trunk_6.15.2-private/tests/Psps_for_tests/33as.SGS_mod
449
- pspatm: opening atomic psp file /home/buildbot/ABINIT/testf_gcc44/trunk_6.15.2-private/tests/Psps_for_tests/33as.SGS_mod
450
450
- pspot from prpsa - Bachelet or Stumpf table ( !! OLD, for testing purposes only )
451
451
- 33.00000 5.00000 900101 znucl, zion, pspdat
452
452
5 3 2 2 269 0.00000 pspcod,pspxc,lmax,lloc,mmax,r2well
3251
3251
================================================================================
3253
- Total cpu time (s,m,h): 7.9 0.13 0.002
3254
- Total wall clock time (s,m,h): 7.9 0.13 0.002
3253
- Total cpu time (s,m,h): 8.1 0.14 0.002
3254
- Total wall clock time (s,m,h): 8.1 0.14 0.002
3256
3256
- For major independent code sections, cpu and wall times (sec),
3257
3257
- as well as % of the time and number of calls for node 0-
3258
3258
- routine cpu % wall % number of calls
3259
- invars2 0.538 6.8 0.538 6.8 5
3260
- pspini 0.162 2.0 0.162 2.0 5
3261
- abinit(2) 0.129 1.6 0.128 1.6 1
3262
- fourwf%(pot) 0.099 1.2 0.084 1.1 5288
3263
- inwffil(excl. calls) 0.041 0.5 0.041 0.5 39
3264
- 76 others 0.179 2.3 0.198 2.5
3259
- invars2 0.567 7.0 0.567 7.0 5
3260
- pspini 0.167 2.0 0.166 2.0 5
3261
- abinit(2) 0.146 1.8 0.147 1.8 1
3262
- fourwf%(pot) 0.094 1.2 0.086 1.1 5288
3263
- 78 others 0.230 2.8 0.237 2.9
3266
- subtotal 1.148 14.5 1.151 14.5
3265
- subtotal 1.204 14.8 1.204 14.8
3268
3267
- For major independent code sections, cpu and wall times (sec),
3269
3268
- as well as % of the total time and number of calls
3271
3270
- routine cpu % wall % number of calls
3272
3271
- (-1=no count)
3273
- invars2 2.148 27.1 2.148 27.1 20
3274
- pspini 0.646 8.2 0.646 8.2 20
3275
- abinit(2) 0.495 6.2 0.495 6.2 4
3276
- fourwf%(pot) 0.351 4.4 0.329 4.2 20570
3277
- inwffil(excl. calls) 0.129 1.6 0.124 1.6 156
3278
- nonlop(apply) 0.111 1.4 0.125 1.6 17498
3279
- resp3dte 0.104 1.3 0.103 1.3 60
3280
- wfsinp(excl. calls) 0.077 1.0 0.071 0.9 120
3281
- fourwf%(G->r) 0.070 0.9 0.069 0.9 7488
3282
- cgwf3-O(npw) 0.067 0.8 0.055 0.7 -4
3283
- vtorho3-kpt loop 0.066 0.8 0.080 1.0 276
3284
- status 0.049 0.6 0.058 0.7 22167
3285
- 69 others 0.367 4.6 0.379 4.8
3272
- invars2 2.268 27.8 2.268 27.8 20
3273
- pspini 0.665 8.2 0.664 8.1 20
3274
- abinit(2) 0.569 7.0 0.570 7.0 4
3275
- fourwf%(pot) 0.338 4.1 0.334 4.1 20570
3276
- inwffil(excl. calls) 0.115 1.4 0.121 1.5 156
3277
- nonlop(apply) 0.108 1.3 0.135 1.7 17498
3278
- resp3dte 0.099 1.2 0.099 1.2 60
3279
- fourwf%(G->r) 0.078 1.0 0.070 0.9 7488
3280
- wfsinp(excl. calls) 0.070 0.9 0.063 0.8 120
3281
- vtorho3-kpt loop 0.064 0.8 0.079 1.0 276
3282
- status 0.055 0.7 0.056 0.7 22397
3283
- cgwf3-O(npw) 0.046 0.6 0.056 0.7 -4
3284
- projbd 0.042 0.5 0.039 0.5 35534
3285
- 69 others 0.330 4.1 0.336 4.1
3287
- subtotal 4.679 59.1 4.683 59.1
3287
- subtotal 4.846 59.5 4.891 60.0
3289
3289
================================================================================
3339
3339
Note that it should not redistributed (Copyright by Oldenburg Wissenshaftverlag,
3340
3340
the licence allows the authors to put it on the Web).
3342
- Proc. 0 individual time (sec): cpu= 2.0 wall= 2.0
3342
- Proc. 0 individual time (sec): cpu= 2.1 wall= 2.1
3344
3344
================================================================================
3346
3346
Calculation completed.
3347
3347
.Delivered 12 WARNINGs and 28 COMMENTs to log file.
3348
+Overall time at end (sec) : cpu= 8.0 wall= 8.1
3348
+Overall time at end (sec) : cpu= 8.3 wall= 8.3