Tech isolv bse #141
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Tech isolv bse #141
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MODIFIED * configure include/version/version.m4 lib/archive/package.list Changes: - [yambo] Slepc and Petsc version updated to 3.21 Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_blocks.F bse/K_kernel.F interface/INIT_load.F io_parallel/io_BS_PAR_block.F io_parallel/io_BS_PAR_init.F modules/mod_BS.F Changes: - [yambo] For runs where the BSE matrix is only constructed, e.g. no solver, the BS_blk(iB)%mat are allocated and de-allocated withing the loops over blocks. This saves a lot of memory if used together with the new I/O mode BSKIOmode="write_all_steps" Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_kernel.F bse/K_solvers.F Changes: - [yambo] New mode, controlled with "write_all_steps" is activated also in presence of solvers. In such case, during the calculation of the kernel the blocks are not kept in memory, and only later, when entering the solver, the whole kernel is loaded into memory Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 modules/mod_BS.F Changes: - Subroutine for cleaning all blocks uses newly created subruntine which cleans single block Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 Changes: - [yambo]: configure re-generated after merge Patch sent by: Davide Sangalli <[email protected]>
This new type is a "nest" matrix for BSE with two shell blocks R and C. Requires Mult operations for the shell blocks.
MODIFIED * include/version/version.m4 bse/K_driver.F bse/K_driver_init.F bse/K_multiply_by_V.F bse/K_shell_matrix.F Changes: - [yambo] Changing K_multiply_by_V structure Patch sent by: Davide Sangalli <[email protected]>
…slepc_folded_spectrum
MODIFIED * configure include/version/version.m4 bse/.objects bse/K_Haydock.F bse/K_diago_driver.F bse/K_driver_init.F bse/K_multiply_by_V.F bse/K_multiply_by_V_slepc.F bse/K_multiply_by_V_transpose_slepc.F bse/K_shell_matrix.F NEW * bse/K_multiply_by_V_slepc_nest.F Changes: - [yambo] First working version of nested slepc solver with shell approach Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 lib/slepc/Makefile.loc bse/K_diago_driver.F bse/K_stored_in_a_nest_matrix.F linear_algebra/MATRIX_slepc.F NEW * Changes: - [yambo] Commented call to Slepc get bse type, otherwise it always overwirets what in input Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_stored_in_a_nest_matrix.F linear_algebra/MATRIX_slepc.F NEW * Changes: - [yambo] Few changes in view of shift and invert approach to slepc Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_blocks.F bse/K_kernel.F bse/K_solvers.F bse/K_stored_in_a_big_matrix.F bse/K_stored_in_a_nest_matrix.F bse/K_stored_in_a_slepc_matrix.F modules/mod_BS.F Bugs: - [ypp] compilation fixed Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 linear_algebra/MATRIX_slepc.F Changes: - [yambo] Added missing set bse type Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_driver.F bse/K_stored_in_a_nest_matrix.F bse/K_stored_in_a_slepc_matrix.F NEW * Changes: - [yambo] Added timing to K_stored_in_a_slepc/nest_matrix - [yambo] After slepc matrix redistribution, BSE kernel is de-allocated - [yambo] Improved messaging for shell vs explicit algorithm Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * include/version/version.m4 collisions/COLLISIONS_HXC.F collisions/LSEX_potential.F Bugs: - _sc compilation fixed Patch sent by: marini <[email protected]>
MODIFIED * lib/qe_pseudo/DOUBLE_project.dep lib/slatec/DOUBLE_project.dep allocations/DIPOLE_ALLOC_elemental.F Bugs: -Fixed missing allocation in dipoles Additions: - Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
Conflicts: src/allocations/DIPOLE_ALLOC_elemental.F
MODIFIED * configure include/version/version.m4 Bugs: - Additions: -Configure updated Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * configure include/version/version.m4 Changes: - [yambo] Version updated to 5.3.0 Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure stop_and_restart/STOP_now.F Bugs: -Better coding in case of stop_now Additions: - Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * config/m4/device_xlib.m4 config/m4/gpu.m4 config/m4/libcuda.m4 config/mk/global/no_configure_help.mk configure include/version/version.m4 Changes: - yambo website links fixed Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 stop_and_restart/STOP_now.F Bugs: - [yambo_nl] compilation fixed Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 bse/K_diago_overlap_matrix.F collisions/Build_LSEX_collisions.F collisions/OSCLL_load.F common/eval_Gradient_gpu.F io/io_OSCLL.F linear_algebra/SERIAL_lin_system_gpu.F matrices/MATRIX_transpose.F modules/mod_gpu.F modules/mod_hip.F modules/mod_mklfft_gpu.F nloptics/NL_test_collisions.F parallel/PARALLEL_global_Oscillators.F wf_and_fft/fft_3d_hip.F Changes: - Fixed headers Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 common/LEVELS_respect_degenerations.F interface/INIT_activate.F interface/INIT_load.F Bugs: - Additions: -Changed behaviour default is the old one Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * configure include/version/version.m4 interface/INIT_load.F Bugs: - Additions: -Flag present in all inputs Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * Makefile configure include/version/version.m4 Bugs: - [compilation] Following user suggestion from #160 Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 lib/archive/package.list NEW * Changes: - slepc and petsc versione upgraded to 22.2 Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 common/LEVELS_respect_degenerations.F Bugs: -Bug reading flag Additions: - Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * configure include/version/version.m4 Bugs: - Additions: -configure regenerated Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * config/m4/acx_fortran_flags.m4 config/m4/acx_fpp.m4 config/m4/acx_mpi.m4 configure include/version/version.m4 Bugs: - Additions: -Configure updated to Intel OneAPI 2025 Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * config/m4/acx_fortran_flags.m4 config/m4/acx_get_fc_kind.m4 configure include/version/version.m4 Bugs: -Fixed configure for intel 2025 Additions: - Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * configure include/version/version.m4 qp/QP_real_axis.F Bugs: -Fixed bug in real-axis GW with Ifort... tests in progress Additions: - Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * configure bse/EPS_via_perturbative_inversion.F bse/K_inversion_Lo.F bse/K_inversion_driver.F bse/K_inversion_engine.F Bugs: -Partial fix for the BSE inversion with ifort-2025 Additions: - Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * config/m4/acx_fortran_flags.m4 configure include/version/version.m4 common/Kramers_Kronig.F Bugs: -Fixed bug iusse #163 Additions: - Changes: - Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * include/version/version.m4 common/Kramers_Kronig.F Bugs: - Additions: - Changes: -Restored old subroutine Patch sent by: Claudio Attaccalite <[email protected]>
MODIFIED * config/m4/gpu.m4 config/setup.in configure include/version/version.m4 lib/petsc/Makefile.loc lib/slepc/Makefile.loc bse/K_stored_in_a_nest_matrix.F bse/K_stored_in_a_slepc_matrix.F Changes: - [yambo] Small changes to slepc gpu porting related coding Patch sent by: Davide Sangalli <[email protected]>
MODIFIED * configure include/version/version.m4 Changes: - configure re-generated after merge Patch sent by: Davide Sangalli <[email protected]>
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This branch contains the latest development related to the Isolv-BSE project.
It has been kept on hold, waiting for the new release, e.g. version 3.22, of the slepc library (partner of the Isolv-bse project.
No the the library is available, this can also enter in the main release process of the code