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Fixed linear algebra
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Anthony Scemama 2024-02-08 14:13:10 +01:00
parent 56b57eb2e1
commit 5b5df61960
10 changed files with 11 additions and 10 deletions
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2
config/ifort_2021_avx.cfg
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@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : ifort -fpic FC : ifort -fpic -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 -DINTEL IRPF90_FLAGS : --ninja --align=32 -DINTEL

2
config/ifort_2021_avx_mpi.cfg
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@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : mpiifort -fpic FC : mpiifort -fpic -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL

2
config/ifort_2021_avx_notz.cfg
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@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : ifort -fpic FC : ifort -fpic -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 --define=WITHOUT_TRAILZ --define=WITHOUT_SHIFTRL IRPF90_FLAGS : --ninja --align=32 --define=WITHOUT_TRAILZ --define=WITHOUT_SHIFTRL

2
config/ifort_2021_debug.cfg
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@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : ifort -fpic FC : ifort -fpic -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 --assert -DINTEL IRPF90_FLAGS : --ninja --align=32 --assert -DINTEL

2
config/ifort_2021_mpi_rome.cfg
View File

@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : mpiifort -fpic FC : mpiifort -fpic -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 -DINTEL IRPF90_FLAGS : --ninja --align=32 -DINTEL

2
config/ifort_2021_rome.cfg
View File

@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : ifort -fpic FC : ifort -fpic -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 -DINTEL IRPF90_FLAGS : --ninja --align=32 -DINTEL

2
config/ifort_2021_sse4.cfg
View File

@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : ifort -fpic FC : ifort -fpic -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 -DINTEL IRPF90_FLAGS : --ninja --align=32 -DINTEL

2
config/ifort_2021_sse4_mpi.cfg
View File

@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : mpiifort -fpic FC : mpiifort -fpic -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL

2
config/ifort_2021_xHost.cfg
View File

@ -6,7 +6,7 @@
# --align=32 : Align all provided arrays on a 32-byte boundary # --align=32 : Align all provided arrays on a 32-byte boundary
# #
[COMMON] [COMMON]
FC : ifort -fpic -diag-disable 5462 FC : ifort -fpic -diag-disable=5462 -diag-disable=10448
LAPACK_LIB : -mkl=parallel LAPACK_LIB : -mkl=parallel
IRPF90 : irpf90 IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=64 -DINTEL IRPF90_FLAGS : --ninja --align=64 -DINTEL

3
src/utils/linear_algebra.irp.f
View File

@ -645,13 +645,14 @@ subroutine get_pseudo_inverse_complex(A,LDA,m,n,C,LDC,cutoff)
END_DOC END_DOC
integer, intent(in) :: m,n, LDA, LDC integer, intent(in) :: m,n, LDA, LDC
complex*16, intent(in) :: A(LDA,n) complex*16, intent(in) :: A(LDA,n)
double precision, intent(in) :: cutoff, d1 double precision, intent(in) :: cutoff
complex*16, intent(out) :: C(LDC,m) complex*16, intent(out) :: C(LDC,m)
double precision, allocatable :: D(:), rwork(:) double precision, allocatable :: D(:), rwork(:)
complex*16, allocatable :: U(:,:), Vt(:,:), work(:), A_tmp(:,:) complex*16, allocatable :: U(:,:), Vt(:,:), work(:), A_tmp(:,:)
integer :: info, lwork integer :: info, lwork
integer :: i,j,k integer :: i,j,k
double precision :: d1
allocate (D(n),U(m,n),Vt(n,n),work(1),A_tmp(m,n),rwork(5*n)) allocate (D(n),U(m,n),Vt(n,n),work(1),A_tmp(m,n),rwork(5*n))
do j=1,n do j=1,n
do i=1,m do i=1,m