- 03 Aug, 2017 1 commit
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Gregor Michalicek authored
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- 02 Aug, 2017 3 commits
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Gregor Michalicek authored
The problem was that some arrays had predefined sizes that were not adapted to the actual problem. I changed this for some arrays now but there are still some other arrays that may become a problem at some point, too.
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 01 Aug, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 31 Jul, 2017 2 commits
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Gregor Michalicek authored
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Uliana Alekseeva authored
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- 30 Jul, 2017 1 commit
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Gregor Michalicek authored
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- 28 Jul, 2017 8 commits
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Gregor Michalicek authored
This broadcast was missing for the use of this variable in vgen/vmtxcg.F90, line 292
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Gregor Michalicek authored
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Gregor Michalicek authored
This might have caused an error in mpi parallel mode.
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Gregor Michalicek authored
This might have produced real bugs in mpi parallel mode.
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Gregor Michalicek authored
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Gregor Michalicek authored
At the moment this does not seem to be important as the final result of vgen seems to be originating from irank 0 only. However, valgrind complained that some jump in vgen->vmts->ingr (line 191) is undefined because an initialization is missing for all iranks != 0.
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 27 Jul, 2017 2 commits
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Gregor Michalicek authored
This is activated by using the inpgen command line switch "-electronConfig"
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Gregor Michalicek authored
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- 26 Jul, 2017 3 commits
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Gregor Michalicek authored
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Daniel Wortmann authored
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Uliana Alekseeva authored
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- 25 Jul, 2017 6 commits
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Gregor Michalicek authored
Note: The temporary usage of the optional mpi argument in stepf still has to be removed.
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Gregor Michalicek authored
This is one more step towards using the parallelized calculation of the stepfunction in the inp.xml code path.
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Gregor Michalicek authored
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Uliana Alekseeva authored
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Uliana Alekseeva authored
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Gregor Michalicek authored
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- 24 Jul, 2017 3 commits
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Gregor Michalicek authored
This is the first step to enable the parallelization for parts of this code as it is provided by Uliana.
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Gregor Michalicek authored
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Uliana Alekseeva authored
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- 20 Jul, 2017 1 commit
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Uliana Alekseeva authored
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- 19 Jul, 2017 3 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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Uliana Alekseeva authored
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- 18 Jul, 2017 2 commits
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Gregor Michalicek authored
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Gregor Michalicek authored
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- 14 Jul, 2017 2 commits
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Gregor Michalicek authored
The array rme had 8 dimensions. This is only allowed by compilers that implement this Fortran 2008 feature. Other compilers only allow 7 dimensions. I splitted this array into the three arrays rmeA, rmeB, and rmeC, which all have 7 dimensions. I hope this fixes the problem.
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Gregor Michalicek authored
I adapted Roman's code slightly such that it fits into the new fleur version. Nothing is tested yet, so testing and polishing still needs to be done.
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