GitLab

This broadcast was missing for the use of this variable in vgen/vmtxcg.F90, line 292

This might have caused an error in mpi parallel mode.

This might have produced real bugs in mpi parallel mode.

This is not yet tested.

Also in this commit: Small syntax correction in mpi/mpi_bc_all.F90.

removed: weight, natd, nkpts,nkptd

- made l_zref a local variable no longer in type sym
- changed the setup of the parallelization (mpi/mpimakegroups is obsolete)
- added new command line switches yet to be documented :-)

Removed preprocessor switches CPP_SOC, CPP_INVERSION, CPP_APW, CPP_CORE.
Only a single fleur executable is built.

The wrong data types lead to some arrays being overwritten and as
a consequence the error map2 was caused in vacfun if the xml code
path and parallelization was used.

...still not functional.

Tests added: CuBandXML, CuDOSXML.

CuDOSXML does not yet pass.

Note that there are still bugs.

Based on v0.26 hybrid branch