mirror of https://gitlab.com/QEF/q-e.git
More EXX restructuring: routines specific for band parallelization moved to
file exx_band.f90; make.depend updated accordingly. Module exx now needs modules exx_base and exx_band. Next: all general variables and routines moved to exx_base.
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@ -8,7 +8,7 @@ New in development version:
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Localized exchange can deal with virtual orbitals (empty bands)
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(Ivan Carnimeo)
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* Spin-polarized B3LYP (experimental)
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* Spin-polarized X3LYP (experimental)
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Problems fixed in development version:
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@ -275,6 +275,7 @@ produce_wannier_gamma.o : ../../Modules/wannier_gw.o
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produce_wannier_gamma.o : ../../Modules/wavefunctions.o
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produce_wannier_gamma.o : ../../PW/src/extfield.o
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produce_wannier_gamma.o : ../../PW/src/exx.o
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produce_wannier_gamma.o : ../../PW/src/exx_base.o
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produce_wannier_gamma.o : ../../PW/src/ldaU.o
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produce_wannier_gamma.o : ../../PW/src/pwcom.o
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produce_wannier_gamma.o : ../../PW/src/scf_mod.o
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@ -385,7 +386,7 @@ v_basis.o : ../../Modules/kind.o
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v_basis.o : ../../Modules/mp_world.o
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v_basis.o : ../../Modules/recvec.o
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v_basis.o : ../../Modules/wannier_gw.o
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v_basis.o : ../../PW/src/exx.o
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v_basis.o : ../../PW/src/exx_base.o
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v_basis.o : ../../PW/src/pwcom.o
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v_basis.o : ../../UtilXlib/mp.o
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wannier.o : ../../Modules/cell_base.o
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6
Makefile
6
Makefile
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@ -378,10 +378,6 @@ doc_clean :
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( if test -f $$dir/Makefile ; then \
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( cd $$dir; $(MAKE) TLDEPS= clean ) ; fi ) ; done
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depend: libiotk version
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depend: libiotk
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@echo 'Checking dependencies...'
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- ( if test -x install/makedeps.sh ; then install/makedeps.sh ; fi)
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# update file containing version number before looking for dependencies
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version:
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- ( cd Modules; make version )
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@ -380,6 +380,7 @@ open_grid.o : ../../Modules/recvec.o
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open_grid.o : ../../Modules/wavefunctions.o
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open_grid.o : ../../PW/src/buffers.o
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open_grid.o : ../../PW/src/exx.o
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open_grid.o : ../../PW/src/exx_base.o
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open_grid.o : ../../PW/src/io_rho_xml.o
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open_grid.o : ../../PW/src/pwcom.o
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open_grid.o : ../../PW/src/scf_mod.o
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@ -73,6 +73,7 @@ ewald.o \
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ewald_dipole.o \
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extfield.o \
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exx_base.o \
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exx_band.o \
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exx.o \
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fcp.o \
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find_group.o \
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1642
PW/src/exx.f90
1642
PW/src/exx.f90
File diff suppressed because it is too large
Load Diff
File diff suppressed because it is too large
Load Diff
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@ -493,14 +493,35 @@ exx.o : ../../Modules/splinelib.o
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exx.o : ../../Modules/uspp.o
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exx.o : ../../Modules/wavefunctions.o
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exx.o : ../../UtilXlib/mp.o
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exx.o : ../../UtilXlib/parallel_include.o
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exx.o : buffers.o
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exx.o : exx_band.o
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exx.o : exx_base.o
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exx.o : paw_exx.o
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exx.o : pwcom.o
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exx.o : realus.o
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exx.o : symm_base.o
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exx.o : us_exx.o
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exx_band.o : ../../FFTXlib/fft_types.o
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exx_band.o : ../../FFTXlib/stick_base.o
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exx_band.o : ../../Modules/cell_base.o
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exx_band.o : ../../Modules/control_flags.o
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exx_band.o : ../../Modules/fft_base.o
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exx_band.o : ../../Modules/gvecw.o
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exx_band.o : ../../Modules/io_files.o
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exx_band.o : ../../Modules/io_global.o
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exx_band.o : ../../Modules/kind.o
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exx_band.o : ../../Modules/mp_bands.o
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exx_band.o : ../../Modules/mp_exx.o
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exx_band.o : ../../Modules/mp_pools.o
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exx_band.o : ../../Modules/noncol.o
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exx_band.o : ../../Modules/recvec.o
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exx_band.o : ../../Modules/recvec_subs.o
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exx_band.o : ../../Modules/uspp.o
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exx_band.o : ../../Modules/wavefunctions.o
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exx_band.o : ../../UtilXlib/mp.o
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exx_band.o : ../../UtilXlib/parallel_include.o
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exx_band.o : buffers.o
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exx_band.o : pwcom.o
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exx_base.o : ../../FFTXlib/fft_types.o
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exx_base.o : ../../FFTXlib/stick_base.o
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exx_base.o : ../../Modules/cell_base.o
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@ -964,6 +985,7 @@ input.o : dynamics_module.o
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input.o : esm.o
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input.o : extfield.o
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input.o : exx.o
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input.o : exx_base.o
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input.o : ldaU.o
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input.o : loc_scdm.o
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input.o : martyna_tuckerman.o
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@ -1018,6 +1040,7 @@ loc_scdm.o : ../../Modules/mp_bands.o
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loc_scdm.o : ../../Modules/noncol.o
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loc_scdm.o : ../../UtilXlib/mp.o
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loc_scdm.o : exx.o
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loc_scdm.o : exx_base.o
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loc_scdm.o : pwcom.o
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loc_scdm.o : scf_mod.o
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make_pointlists.o : ../../Modules/cell_base.o
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@ -1082,6 +1105,7 @@ memory_report.o : ../../Modules/uspp.o
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memory_report.o : ../../Modules/wannier_new.o
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memory_report.o : atomic_wfc_mod.o
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memory_report.o : exx.o
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memory_report.o : exx_base.o
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memory_report.o : ldaU.o
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memory_report.o : pwcom.o
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mix_rho.o : ../../FFTXlib/fft_interfaces.o
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@ -1576,6 +1600,7 @@ pw_restart_new.o : bp_mod.o
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pw_restart_new.o : buffers.o
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pw_restart_new.o : extfield.o
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pw_restart_new.o : exx.o
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pw_restart_new.o : exx_base.o
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pw_restart_new.o : io_rho_xml.o
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pw_restart_new.o : ldaU.o
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pw_restart_new.o : pwcom.o
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@ -1872,6 +1897,7 @@ setup.o : atomic_wfc_mod.o
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setup.o : bp_mod.o
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setup.o : extfield.o
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setup.o : exx.o
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setup.o : exx_base.o
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setup.o : ldaU.o
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setup.o : pw_restart.o
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setup.o : pw_restart_new.o
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@ -293,6 +293,7 @@ lr_exx_kernel.o : ../../Modules/mp_global.o
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lr_exx_kernel.o : ../../Modules/recvec.o
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lr_exx_kernel.o : ../../Modules/wavefunctions.o
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lr_exx_kernel.o : ../../PW/src/exx.o
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lr_exx_kernel.o : ../../PW/src/exx_base.o
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lr_exx_kernel.o : ../../PW/src/pwcom.o
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lr_exx_kernel.o : ../../PW/src/realus.o
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lr_exx_kernel.o : ../../PW/src/symm_base.o
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@ -401,7 +402,6 @@ lr_read_wf.o : ../../Modules/recvec.o
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lr_read_wf.o : ../../Modules/uspp.o
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lr_read_wf.o : ../../Modules/wavefunctions.o
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lr_read_wf.o : ../../PW/src/buffers.o
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lr_read_wf.o : ../../PW/src/exx.o
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lr_read_wf.o : ../../PW/src/pwcom.o
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lr_read_wf.o : ../../PW/src/realus.o
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lr_read_wf.o : lr_exx_kernel.o
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