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Draft: Resolve "Memory leak with latest Intel compiler ifx" #562

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3 changes: 2 additions & 1 deletion Libraries/Modules/mymats_mod.F90
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Expand Up @@ -1340,10 +1340,11 @@ Complex (Kind=Kind(0.d0)) Function DET_C(Mat,N)
Complex(Kind=Kind(0.d0)), intent(inout) :: mat(:,:)

integer :: i, info, LDmat
integer :: ipiv(N)
integer, allocatable :: ipiv(:)

integer :: sgn

allocate(ipiv(N))
ipiv = 0

!Lapack LU decomposition
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5 changes: 4 additions & 1 deletion Prog/Hamiltonians/Hamiltonian_Hubbard_smod.F90
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Expand Up @@ -657,7 +657,8 @@ subroutine Obser(GR,Phase,Ntau, Mc_step_weight)
Real (Kind=Kind(0.d0)), INTENT(IN) :: Mc_step_weight

!Local
Complex (Kind=Kind(0.d0)) :: GRC(Ndim,Ndim,N_FL), ZK
Complex (Kind=Kind(0.d0)), allocatable :: GRC(:,:,:)
Complex (Kind=Kind(0.d0)) :: ZK
Complex (Kind=Kind(0.d0)) :: Zrho, Zkin, ZPot, Z, ZP,ZS, ZZ, ZXY
Integer :: I,J, imj, nf, dec, I1, J1, no_I, no_J,n
Real (Kind=Kind(0.d0)) :: X
Expand All @@ -666,6 +667,8 @@ subroutine Obser(GR,Phase,Ntau, Mc_step_weight)
ZS = Real(Phase, kind(0.D0))/Abs(Real(Phase, kind(0.D0)))

ZS = ZS*Mc_step_weight

allocate(GRC(Ndim,Ndim,N_FL))

Do nf = 1,N_FL
Do I = 1,Ndim
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11 changes: 7 additions & 4 deletions Prog/cgr1_mod.F90
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Expand Up @@ -69,7 +69,7 @@ SUBROUTINE CGR(PHASE,NVAR, GRUP, udvr, udvl)
!Local
Logical, save :: Scale_warning_message = .true.
TYPE(UDV_State) :: udvlocal
COMPLEX (Kind=Kind(0.d0)), Dimension(:,:), Allocatable :: TPUP, TPUP1, TPUPM1
COMPLEX (Kind=Kind(0.d0)), Dimension(:,:), Allocatable :: TPUP, TPUP1, TPUPM1, TPUP_temp
INTEGER, Dimension(:), Allocatable :: IPVT
COMPLEX (Kind=Kind(0.d0)) :: ZDUP1, ZDDO1, ZDUP2, ZDDO2, Z1, ZUP, ZDO, alpha, beta
Integer :: I,J, N_size, NCON, info
Expand Down Expand Up @@ -187,7 +187,7 @@ SUBROUTINE CGR(PHASE,NVAR, GRUP, udvr, udvl)

!Local
Logical, save :: Scale_warning_message = .true.
COMPLEX (Kind=Kind(0.d0)), Dimension(:,:), Allocatable :: TPUP, RHS
COMPLEX (Kind=Kind(0.d0)), Dimension(:,:), Allocatable :: TPUP, RHS, TPUP_temp
COMPLEX (Kind=Kind(0.d0)), Dimension(:) , Allocatable :: DUP
INTEGER, Dimension(:), Allocatable :: IPVT, VISITED
COMPLEX (Kind=Kind(0.d0)) :: alpha, beta, Z, DLJ
Expand Down Expand Up @@ -301,7 +301,10 @@ SUBROUTINE CGR(PHASE,NVAR, GRUP, udvr, udvl)
PHASE = PHASE/ABS(PHASE)
IPVT = 0
IF (NVAR .NE. 1) THEN
TPUP = CONJG(TRANSPOSE(TPUP))
Allocate(TPUP_temp(N_size,N_size))
TPUP_temp = CONJG(TRANSPOSE(TPUP))
TPUP = TPUP_temp
Deallocate(TPUP_temp)
ENDIF
call QDRP_decompose(N_size, udvl%N_part, TPUP, DUP, IPVT, TAU, WORK, LWORK)
ALLOCATE(VISITED(N_size))
Expand Down Expand Up @@ -345,7 +348,7 @@ SUBROUTINE CGR(PHASE,NVAR, GRUP, udvr, udvl)
! This is supposed to solve the system
! URUP U D V P^dagger ULUP G = 1
! initialize the rhs with CT(URUP)
RHS = CT(udvr%U)
RHS = conjg(transpose(udvr%U))
#if (defined(STAB3) || defined(STABLOG))
!scale RHS=R_+^-1*RHS
do J=1,N_size
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15 changes: 10 additions & 5 deletions Prog/cgr2_2_mod.F90
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Expand Up @@ -234,11 +234,13 @@ SUBROUTINE CGR2_2(GRT0, GR00, GRTT, GR0T, udv2, udv1, LQ)
Complex (Kind=Kind(0.d0)), intent(inout) :: GRT0(LQ,LQ), GR0T(LQ,LQ), GR00(LQ,LQ), GRTT(LQ,LQ)

! Local::
Complex (Kind=Kind(0.d0)) :: V1INV(LQ,LQ)
Complex (Kind=Kind(0.d0)) :: D3B(2*LQ)
Complex (Kind=Kind(0.d0)), allocatable :: V1INV(:,:)
Complex (Kind=Kind(0.d0)), allocatable :: D3B(:)
Complex (Kind=Kind(0.d0)) :: Z, alpha, beta
Complex(Kind = Kind(0.D0)), allocatable, Dimension(:, :) :: MYU2, HLPB1, HLPB2, U3B, V3B
Integer :: LQ2, I,J, NCON

allocate( V1INV(LQ,LQ), D3B(2*LQ) )

if(udv1%side .ne. "L" .and. udv1%side .ne. "l" ) then
write(*,*) "calling wrong decompose"
Expand Down Expand Up @@ -302,7 +304,8 @@ SUBROUTINE CGR2_2(GRT0, GR00, GRTT, GR0T, udv2, udv1, LQ)
HLPB2(I+LQ, J ) = udv1%D(I)*conjg(udv1%U(J,I))!udv1%U(I,J)
ENDDO
ENDDO
HLPB1 = CT(HLPB2)
! HLPB1 = CT(HLPB2)
HLPB1 = conjg(transpose(HLPB2))

!CALL UDV_wrap(HLPB1,U3B,D3B,V3B,NCON)
CALL UDV_wrap_Pivot(HLPB1,U3B,D3B,V3B,NCON,LQ2,LQ2)
Expand Down Expand Up @@ -396,7 +399,8 @@ SUBROUTINE CGR2_2(GRT0, GR00, GRTT, GR0T, udv2, udv1, LQ)
HLPB2(I+LQ, J ) = -D2m(I)*udv2%V(I,J)
ENDDO
ENDDO
HLPB1 = CT(HLPB2)
! HLPB1 = CT(HLPB2)
HLPB1 = conjg(transpose(HLPB2))
call QDRP_decompose(LQ2, LQ2, HLPB1, D3, IPVT, TAU, WORK, LWORK)
call solve_extended_System(HLPB2, V1INV, MYU2, HLPB1, D3, TAU, IPVT, LQ, WORK, LWORK)
call get_blocks(GR00, GR0T, GRT0, GRTT, HLPB2, LQ)
Expand All @@ -410,7 +414,8 @@ SUBROUTINE CGR2_2(GRT0, GR00, GRTT, GR0T, udv2, udv1, LQ)
HLPB2(I+LQ, J ) = D1m(I)*conjg(udv1%U(J,I))!udv1%U(I,J)
ENDDO
ENDDO
HLPB1 = CT(HLPB2)
! HLPB1 = CT(HLPB2)
HLPB1 = conjg(transpose(HLPB2))
call QDRP_decompose(LQ2, LQ2, HLPB1, D3, IPVT, TAU, WORK, LWORK)
call solve_extended_System(HLPB2, MYU2, V1INV, HLPB1, D3, TAU, IPVT, LQ, WORK, LWORK)
call get_blocks(GRTT, GRT0, GR0T, GR00, HLPB2, LQ)
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6 changes: 4 additions & 2 deletions Prog/tau_m_mod.F90
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Expand Up @@ -65,15 +65,17 @@ SUBROUTINE TAU_M(udvst, GR, PHASE, NSTM, NWRAP, STAB_NT, LOBS_ST, LOBS_EN)

! Local
! This could be placed as private for the module
Complex (Kind=Kind(0.d0)) :: GT0(NDIM,NDIM,N_FL), G00(NDIM,NDIM,N_FL), GTT(NDIM,NDIM,N_FL), G0T(NDIM,NDIM,N_FL)
Complex (Kind=Kind(0.d0)), Dimension(:,:,:), Allocatable :: GT0, G00, GTT, G0T
Complex (Kind=Kind(0.d0)), Dimension(:,:,:), Allocatable :: GT0_T, G00_T, GTT_T, G0T_T
CLASS(UDV_State), DIMENSION(:), ALLOCATABLE :: udvr
Complex (Kind=Kind(0.d0)) :: HLP4(Ndim,Ndim), HLP5(Ndim,Ndim), HLP6(Ndim,Ndim)
Complex (Kind=Kind(0.d0)), Dimension(:,:), Allocatable :: HLP4, HLP5, HLP6

Complex (Kind=Kind(0.d0)) :: Z
Integer :: I, J, nf, nf_eff, NT, NT1, NTST, NST, N, N_type
Real (Kind=Kind(0.d0)) :: spin, Mc_step_Weight

Allocate( HLP4(Ndim,Ndim), HLP5(Ndim,Ndim), HLP6(Ndim,Ndim) )
Allocate( G00(Ndim,Ndim,N_FL), G0T(Ndim,Ndim,N_FL), GT0(Ndim,Ndim,N_FL), GTT(Ndim,Ndim,N_FL) )
If (Symm) Then
Allocate ( G00_T(Ndim,Ndim,N_FL), G0T_T(Ndim,Ndim,N_FL), GT0_T(Ndim,Ndim,N_FL), GTT_T(Ndim,Ndim,N_FL) )
endif
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2 changes: 1 addition & 1 deletion configure.sh
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Expand Up @@ -193,7 +193,7 @@ INTELDEVFLAGS="-warn all -check all -g -traceback"
INTELUSEFULFLAGS="-std08"

INTELLLVMOPTFLAGS="-cpp -O3"
INTELLLVMOPTFLAGS="-cpp -O3 -fp-model=fast=2 -no-prec-div -static -xHost -unroll -finline-functions -heap-arrays 1024 -no-wrap-margin"
INTELLLVMOPTFLAGS="-cpp -O3 -fp-model=fast=2 -no-prec-div -static -xHost -unroll -finline-functions -no-wrap-margin"
# uncomment the next line if you want to use additional openmp parallelization
# INTELLLVMOPTFLAGS="${INTELLLVMOPTFLAGS} -qopenmp"
INTELLLVMDEVFLAGS="-warn all -check all,nouninit -g -traceback"
Expand Down