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Tech magma #102

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Interface to the magma library for diagonalization of the BSE (also on GPU)

Developments by @andrea-ferretti and @blmelp

Pull request opened after suggesion of @andrea-ferretti

nicspalla and others added 14 commits March 22, 2023 10:28
    MODIFIED *  include/driver/version.h dipoles/DIPOLE_overlaps.F

    NEW *

    Bugs:
    - workaround for issue #729 to fix compilation

    Patch sent by:  Davide Sangalli <[email protected]>
Conflicts:
	config/report.in
	include/driver/version.h
	src/modules/.objects
MODIFIED *  configure include/version/version.m4

DELETED *  include/driver/version.h

Changes:
- deleted old version.h file (not needed anymore)

Patch sent by:  Davide Sangalli <[email protected]>
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There is also a discussion in this connected pull-request: blmelp#1

Was this solved?

MODIFIED *  configure include/version/version.m4

Changes:
- [yambo]: configure re-generated after merge

Patch sent by:  Davide Sangalli <[email protected]>
MODIFIED *  config/m4/acx_report.m4 config/report.in configure include/version/version.m4

Bugs:
- Few small fixes in the configure

Additions:
-

Changes:
-

Patch sent by:  Davide Sangalli <[email protected]>
@sangallidavide
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There is also a discussion in this connected pull-request: blmelp#1

Was this solved?

@andrea-ferretti should we proceed with the merge?

I checked the code. I see:

  • the magma can be linked only externally for now
  • the magma are used only in case of serial diagonalization with complex eigenvalues (in practice bse with coupling). Is this correct?

MODIFIED *  include/version/version.m4 modules/mod_linear_algebra.F

Changes:
- [yambo] Added few messages

Patch sent by:  Davide Sangalli <[email protected]>
MODIFIED *  config/m4/acx_report.m4 config/m4/magma.m4 config/mk/global/actions/compile_external_libraries.mk config/mk/global/actions/download_external_libraries.mk configure include/version/version.m4 lib/archive/Makefile.loc lib/archive/package.list

NEW *  lib/magma/Makefile.loc

Changes:
- [yambo] few more steps to prepare internal magma compilation

Patch sent by:  Davide Sangalli <[email protected]>
@andreamarini
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Dear Davide, MAGMA libs are necessary to use this branch?

If the answer is yes a documentation is needed in order to install them properly.

This is also needed in order to add the lib to the robots libraries.

THX

MODIFIED *  configure include/version/version.m4 ypp/excitons/excitons_bands.F ypp/excitons/excitons_interpolate_setup.F ypp/plotting/plot_interpolated_values.F

Changes:
- Built in bands available also in excitons interpolation

Patch sent by:  Davide Sangalli <[email protected]>
@sangallidavide
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Dear Davide, MAGMA libs are necessary to use this branch?

No, they are optional. I'm not the expert here. @andrea-ferretti did most of the coding

sangallidavide and others added 25 commits January 20, 2025 21:45
MODIFIED *  configure include/version/version.m4 dipoles/Berry_polarization_EQ.F dipoles/DIPOLE_covariant.F hamiltonian/Build_W_operator.F nloptics/NL_Berry_current.F nloptics/NL_current.F

Bugs:
- List of changes propsed in #172
  Branch created after quick discussion with Claudio and Myrta

Patch sent by:  Davide Sangalli <[email protected]>
MODIFIED *  configure include/version/version.m4

NEW *  Discussion_AD_DS_20250225.dat

Additions:
- Created file with discussion with AndreaF

Patch sent by:  Davide Sangalli <[email protected]>
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5 participants