Commits · f9ae387e66286ab3ee89352018e6e1725a87a251 · fleur / fleur · GitLab

13 Jul, 2019 2 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · f9ae387e
  Daniel Wortmann authored Jul 13, 2019
  
  f9ae387e
- Started modifying mpi-type, adjusted k-loops · f20d075c
  Daniel Wortmann authored Jul 13, 2019
  
  f20d075c
12 Jul, 2019 5 commits
- removed PGI flags · 07ac085d
  Uliana Alekseeva authored Jul 12, 2019
  
  07ac085d
- Added missing argument in fleur_help then for last commit · ea09cca8
  Daniel Wortmann authored Jul 12, 2019
  
  ea09cca8
- Added missing then for last commit · eed66132
  Daniel Wortmann authored Jul 12, 2019
  
  eed66132
- Added missing use statement for last commit · 95ac01ce
  Daniel Wortmann authored Jul 12, 2019
  
  95ac01ce
- Added option to print timing for all PE · ba83f312
  Daniel Wortmann authored Jul 12, 2019
  
  ba83f312
11 Jul, 2019 1 commit
- Renamed inpgen switch -kpts_gw to -gw and additionally set gw mode to one if the switch is used · 09d4939a
  Gregor Michalicek authored Jul 11, 2019
  
  09d4939a
10 Jul, 2019 6 commits
- Adjusted GaAsMultiUForceXML test to change to cartesian coordinates in relax.xml · 60f71573
  Gregor Michalicek authored Jul 10, 2019
  
  60f71573
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · ebc8e0c4
  Stefan Rost authored Jul 10, 2019
  
  ebc8e0c4
- added errormessage for unfolding in case of unallowed parallelisation -... · 3200bad6
  Stefan Rost authored Jul 10, 2019
```
added errormessage for unfolding in case of unallowed parallelisation - unfolding can now become a standard feature
```
  3200bad6
- remove some obsolete · afc3092b
  Matthias Redies authored Jul 10, 2019
  
  afc3092b
- remove unused variable · 896830e3
  Matthias Redies authored Jul 10, 2019
  
  896830e3
- try to make valgrind happier · 01c887b4
  Matthias Redies authored Jul 10, 2019
  
  01c887b4
09 Jul, 2019 5 commits
- changed gw=1 behaviour to readuce number of fleur calls · 47c2c3a8
  Stefan Rost authored Jul 09, 2019
  
  47c2c3a8
- PGI flags added · 23827ece
  Uliana Alekseeva authored Jul 09, 2019
  
  23827ece
- time measurement of r_inpXML added · 586c1b62
  Uliana Alekseeva authored Jul 09, 2019
  
  586c1b62
- Modified treatment of displacements in relaxation from relative to absolute cooredinates · 179e5ecf
  Daniel Wortmann authored Jul 09, 2019
  
  179e5ecf
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · 9b043d6a
  Daniel Wortmann authored Jul 09, 2019
  
  9b043d6a
08 Jul, 2019 2 commits
- ylm4 supports maxl=0 · 3ab90e84
  Matthias Redies authored Jul 08, 2019
  
  3ab90e84
- Updated MPI-Test · 77ca2894
  Daniel Wortmann authored Jul 08, 2019
  
  77ca2894
05 Jul, 2019 2 commits
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · dc08b1dd
  Daniel Wortmann authored Jul 05, 2019
  
  dc08b1dd
- Added info for IntelMPI2019, made variables ASYNCRONOUS in eig66_mpi · 4becb2ba
  Daniel Wortmann authored Jul 05, 2019
  
  4becb2ba
04 Jul, 2019 3 commits
- Update configure.sh · 667f319f
  Daniel Wortmann authored Jul 04, 2019
  
  667f319f
- Update compileenv.txt · 84e6ca18
  Daniel Wortmann authored Jul 04, 2019
  
  84e6ca18
- Update compileenv.txt · 9810cf0f
  Daniel Wortmann authored Jul 04, 2019
  
  9810cf0f
03 Jul, 2019 5 commits
- Replace MPI_BARRIER in eigen_soc/eigenso.F90 bei MPI_ALLREDUCE · 248b0546
  Gregor Michalicek authored Jul 03, 2019
  
  248b0546
- Fix wrong array dimensioning in MPI_ALLREDUCE call in eigen/eigen.F90 · 274f0089
  Gregor Michalicek authored Jul 03, 2019
  
  274f0089
- Merge branch 'develop' of iffgit.fz-juelich.de:fleur/fleur into develop · ed2a1356
  Matthias Redies authored Jul 03, 2019
  
  ed2a1356
- this is why the was no omp · 1a24857c
  Matthias Redies authored Jul 03, 2019
  
  1a24857c
- Update cdn_io.F90 to perform work only on irank==0 · f929f647
  Daniel Wortmann authored Jul 03, 2019
  
  f929f647
02 Jul, 2019 8 commits
- Update .gitlab-ci.yml no caching anymore · aed7d430
  Daniel Wortmann authored Jul 02, 2019
  
  aed7d430
- Update .gitlab-ci.yml · 5d7be0c2
  Daniel Wortmann authored Jul 02, 2019
  
  5d7be0c2
- Update .gitlab-ci.yml to use arifacts no cache in gfortran · f0713231
  Daniel Wortmann authored Jul 02, 2019
  
  f0713231
- Update .gitlab-ci.yml try to tag cache · 62c5d7f8
  Daniel Wortmann authored Jul 02, 2019
  
  62c5d7f8
- Added another noco%l_noco broadcast in init/postprocessInput.F90 to finally resolve issue #280 · 9f890c83
  Gregor Michalicek authored Jul 02, 2019
  
  9f890c83
- Broadcast input%qfix in init/postprocessInput.F90 · a58a5813
  Gregor Michalicek authored Jul 02, 2019
  
  a58a5813
- Revert commit 55742781 to resolve issue #280 · ef8b8b87
  Gregor Michalicek authored Jul 02, 2019
  
  ef8b8b87
- Replace read_eig by MPI_ALLREDUCE in eigen/eigen.F90 · a92c473b
  Gregor Michalicek authored Jul 02, 2019
```
This is actually made to let delete the MPI_BARRIER that caused some trouble
lately. But this should now be the more elegant solution. I hope it only
has a positive performance impact if it has one at all.
```
  a92c473b
01 Jul, 2019 1 commit
- Fix in handling of relax switch for forces · 4c408dd8
  Daniel Wortmann authored Jul 01, 2019
  
  4c408dd8