Commit e4868860 authored by Ben Hourahine's avatar Ben Hourahine Committed by Yingzhou Li
Browse files

Updated all integer and real types to be consistent, i.e., integer(i4) and real(r8)

parent a6fd1e54
Pipeline #1695 passed with stage
in 4 minutes and 26 seconds
......@@ -60,15 +60,15 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer, save :: iter ! step num.
integer, save :: m, n ! size of the wave functions.
integer(i4), save :: iter ! step num.
integer(i4), save :: m, n ! size of the wave functions.
if (ijob <= SID_ALLOCATE) then
ijob = SID_ALLOCATE + 1
......@@ -111,14 +111,14 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer, save :: iter ! step num.
integer(i4), save :: iter ! step num.
if (ijob <= SID_DEALLOCATE) then
ijob = SID_DEALLOCATE + 1
......@@ -158,24 +158,24 @@ contains
!**** INPUT ***********************************!
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
type(rci_handle), intent(inout) :: r_h
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
real(r8), intent(inout) :: resvec(:)
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer :: it, iti
integer, save :: m ! size of basis
integer, save :: n ! number of current states
integer, save :: nact ! number of active states
integer, save :: n_state ! number of wanted states
integer, save :: niter ! iteration num.
integer, save :: ninneriter ! inner iteration num.
integer, save :: max_iter ! max number of iterations
integer, save :: max_inneriter ! max number of inner iterations
integer(i4) :: it, iti
integer(i4), save :: m ! size of basis
integer(i4), save :: n ! number of current states
integer(i4), save :: nact ! number of active states
integer(i4), save :: n_state ! number of wanted states
integer(i4), save :: niter ! iteration num.
integer(i4), save :: ninneriter ! inner iteration num.
integer(i4), save :: max_iter ! max number of iterations
integer(i4), save :: max_inneriter ! max number of inner iterations
real(r8), save :: tol_iter ! convergence tolerance
real(r8), save :: c ! center of spectrum
......
......@@ -63,15 +63,15 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer, save :: iter ! step num.
integer, save :: m, n ! size of the wave functions.
integer(i4), save :: iter ! step num.
integer(i4), save :: m, n ! size of the wave functions.
if (ijob <= SID_ALLOCATE) then
ijob = SID_ALLOCATE + 1
......@@ -118,14 +118,14 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer, save :: iter ! step num.
integer(i4), save :: iter ! step num.
if (ijob <= SID_DEALLOCATE) then
ijob = SID_DEALLOCATE + 1
......@@ -169,24 +169,24 @@ contains
!**** INPUT ***********************************!
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
type(rci_handle), intent(inout) :: r_h
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
real(r8), intent(inout) :: resvec(:)
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer :: it, iti
integer, save :: m ! size of basis
integer, save :: n ! number of current states
integer, save :: n_state ! number of wanted states
integer, save :: n_restart ! number of restarted states
integer, save :: next ! number of extended states
integer, save :: niter ! iteration num.
integer, save :: max_iter ! max number of iterations
integer, save :: max_n ! max number of basis in reduced space
integer(i4) :: it, iti
integer(i4), save :: m ! size of basis
integer(i4), save :: n ! number of current states
integer(i4), save :: n_state ! number of wanted states
integer(i4), save :: n_restart ! number of restarted states
integer(i4), save :: next ! number of extended states
integer(i4), save :: niter ! iteration num.
integer(i4), save :: max_iter ! max number of iterations
integer(i4), save :: max_n ! max number of basis in reduced space
real(r8), save :: tol_iter ! convergence tolerance
......
......@@ -71,15 +71,15 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer, save :: iter ! CG step num.
integer, save :: m, n ! size of the wave functions.
integer(i4), save :: iter ! CG step num.
integer(i4), save :: m, n ! size of the wave functions.
if (ijob <= SID_ALLOCATE) then
ijob = SID_ALLOCATE + 1
......@@ -126,14 +126,14 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer, save :: iter ! CG step num.
integer(i4), save :: iter ! CG step num.
if (ijob <= SID_DEALLOCATE) then
ijob = SID_DEALLOCATE + 1
......@@ -175,25 +175,25 @@ contains
implicit none
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
type(rci_handle), intent(inout) :: r_h
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
real(r8), intent(inout) :: resvec(:)
!**** LOCAL ***********************************!
integer, save :: m ! size of basis
integer, save :: n ! number of occupied states
integer, save :: max_iter
integer, save :: max_n ! max number of columns
integer(i4), save :: m ! size of basis
integer(i4), save :: n ! number of occupied states
integer(i4), save :: max_iter
integer(i4), save :: max_n ! max number of columns
real(r8), save :: tol_iter ! convergence tolerance of CG
logical, save :: ls_conv ! line search converged?
logical, save :: ls_fail ! line search failed?
integer, save :: icg ! CG step num.
integer(i4), save :: icg ! CG step num.
real(r8), save :: est_ub ! estimated upper bound of spectrum
real(r8), save :: lambda ! CG step size
......
......@@ -72,15 +72,15 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer, save :: iter ! step num.
integer, save :: m, n ! size of the wave functions.
integer(i4), save :: iter ! step num.
integer(i4), save :: m, n ! size of the wave functions.
if (ijob <= SID_ALLOCATE) then
ijob = SID_ALLOCATE + 1
......@@ -127,14 +127,14 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer, save :: iter ! step num.
integer(i4), save :: iter ! step num.
if (ijob <= SID_DEALLOCATE) then
ijob = SID_DEALLOCATE + 1
......@@ -178,29 +178,29 @@ contains
!**** INPUT ***********************************!
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
type(rci_handle), intent(inout) :: r_h
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
real(r8), intent(inout) :: resvec(:)
type(rci_instr), intent(inout) :: iS
!**** LOCAL ***********************************!
integer :: it, iti
integer, save :: m ! size of basis
integer, save :: n ! number of current states
integer, save :: max_n ! max number of columns
integer, save :: iter ! iteration num.
integer, save :: iter_diag ! iteration num.
integer, save :: max_iter ! max number of iterations
integer, save :: rrstep ! iteration number gap between RR step
integer, save :: sbsize ! size of the sequential diag block
integer, save :: sbsize_last ! size of the last block
integer, save :: lsize ! local size of the block
integer, save :: lsize3 ! size of combined block
integer, save :: nsb ! number of the blocks
integer, save :: nact ! number of active columns
integer(i4) :: it, iti
integer(i4), save :: m ! size of basis
integer(i4), save :: n ! number of current states
integer(i4), save :: max_n ! max number of columns
integer(i4), save :: iter ! iteration num.
integer(i4), save :: iter_diag ! iteration num.
integer(i4), save :: max_iter ! max number of iterations
integer(i4), save :: rrstep ! iteration number gap between RR step
integer(i4), save :: sbsize ! size of the sequential diag block
integer(i4), save :: sbsize_last ! size of the last block
integer(i4), save :: lsize ! local size of the block
integer(i4), save :: lsize3 ! size of combined block
integer(i4), save :: nsb ! number of the blocks
integer(i4), save :: nact ! number of active columns
real(r8), save :: tol_iter ! convergence tolerance
real(r8), save :: tol_lock ! locking tolerance
......@@ -211,7 +211,7 @@ contains
logical, save :: ovlp_is_unit ! ovlp is unit flag
logical, save :: conv_flag = .false. ! indicator for convergence
integer, save, allocatable :: act_idx(:)
integer(i4), save, allocatable :: act_idx(:)
!**********************************************!
......
......@@ -53,18 +53,18 @@ module ELSI_RCI_DATATYPE
! A, B, C: General matrices
type, public :: rci_instr
character :: jobz, uplo ! job char; and upper or lower
character :: side ! left or right side
character :: trH, trS, trP, trA, trB ! Operation for H, S, P, A, B
character :: jobz, uplo ! job char; and upper or lower
character :: side ! left or right side
character :: trH, trS, trP, trA, trB ! Operation for H, S, P, A, B
integer :: m, n ! size of the output matrix
integer :: k ! size of the intermediate multiplication
integer :: lda, ldb, ldc ! leading size for matrix A, B and C
integer(i4) :: m, n ! size of the output matrix
integer(i4) :: k ! size of the intermediate multiplication
integer(i4) :: lda, ldb, ldc ! leading size for matrix A, B and C
integer :: rAoff,cAoff ! row and column offset of A
integer :: rBoff,cBoff ! row and column offset of B
integer(i4) :: rAoff,cAoff ! row and column offset of A
integer(i4) :: rBoff,cBoff ! row and column offset of B
integer :: Aidx, Bidx, Cidx ! indices for matrix A, B and C
integer(i4) :: Aidx, Bidx, Cidx ! indices for matrix A, B and C
real(r8) :: alpha, beta ! coefficients
......
......@@ -31,10 +31,10 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
select case (r_h%solver)
......@@ -58,10 +58,10 @@ contains
type(rci_handle), intent(in) :: r_h
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
type(rci_instr), intent(inout) :: iS
select case (r_h%solver)
......@@ -84,11 +84,11 @@ contains
!**** INPUT ***********************************!
!**** OUTPUT **********************************!
integer, intent(out) :: task
integer(i4), intent(out) :: task
!**** INOUT ***********************************!
type(rci_handle), intent(inout) :: r_h
integer, intent(inout) :: ijob ! job id
integer(i4), intent(inout) :: ijob ! job id
real(r8), intent(inout) :: resvec(:)
type(rci_instr), intent(inout) :: iS
......
......@@ -116,7 +116,7 @@ contains
implicit none
!**** OUTPUT ***********************************!
integer(kind=i4), intent(out) :: task
integer(i4), intent(out) :: task
task = RCI_STOP
......@@ -133,7 +133,7 @@ contains
logical, intent(in) :: conv_flag ! convergence flag
!**** OUTPUT ***********************************!
integer(kind=i4), intent(out) :: task
integer(i4), intent(out) :: task
if (conv_flag) then
task = RCI_CONVERGE
......@@ -151,13 +151,13 @@ contains
implicit none
!**** INPUT ***********************************!
integer, intent(in) :: m ! height of A
integer, intent(in) :: n ! width of A
integer, intent(in) :: Aidx ! indices for matrix A
integer(i4), intent(in) :: m ! height of A
integer(i4), intent(in) :: n ! width of A
integer(i4), intent(in) :: Aidx ! indices for matrix A
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_ALLOCATE
iS%Aidx = Aidx
......@@ -174,11 +174,11 @@ contains
implicit none
!**** INPUT ***********************************!
integer, intent(in) :: Aidx ! indices for matrix A
integer(i4), intent(in) :: Aidx ! indices for matrix A
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_DEALLOCATE
iS%Aidx = Aidx
......@@ -196,13 +196,13 @@ contains
!**** INPUT ***********************************!
character, intent(in) :: trH ! transpose of H
integer, intent(in) :: m ! height of B
integer, intent(in) :: n ! width of B
integer, intent(in) :: Aidx, Bidx ! indices for matrix A and B
integer(i4), intent(in) :: m ! height of B
integer(i4), intent(in) :: n ! width of B
integer(i4), intent(in) :: Aidx, Bidx ! indices for matrix A and B
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_H_MULTI
iS%TrH = trH
......@@ -224,13 +224,13 @@ contains
!**** INPUT ***********************************!
character, intent(in) :: trS ! transpose of S
integer, intent(in) :: m ! height of B
integer, intent(in) :: n ! width of B
integer, intent(in) :: Aidx, Bidx ! indices for matrix A and B
integer(i4), intent(in) :: m ! height of B
integer(i4), intent(in) :: n ! width of B
integer(i4), intent(in) :: Aidx, Bidx ! indices for matrix A and B
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_S_MULTI
iS%TrS = trS
......@@ -252,13 +252,13 @@ contains
!**** INPUT ***********************************!
character, intent(in) :: trP ! transpose of P
integer, intent(in) :: m ! height of B
integer, intent(in) :: n ! width of B
integer, intent(in) :: Aidx, Bidx ! indices for matrix A and B
integer(i4), intent(in) :: m ! height of B
integer(i4), intent(in) :: n ! width of B
integer(i4), intent(in) :: Aidx, Bidx ! indices for matrix A and B
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_P_MULTI
iS%TrP = trP
......@@ -278,11 +278,11 @@ contains
!**** INPUT ***********************************!
character, intent(in) :: trA ! transpose of A
integer, intent(in) :: Aidx, Bidx ! indices for matrix A and B
integer(i4), intent(in) :: Aidx, Bidx ! indices for matrix A and B
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_COPY
iS%trA = trA
......@@ -300,15 +300,15 @@ contains
implicit none
!**** INPUT ***********************************!
integer, intent(in) :: Aidx, Bidx ! indices for matrix A and B
integer, intent(in) :: lda, ldb ! lda for matrix A and B
integer, intent(in) :: m, n ! size of the submatrix
integer, intent(in) :: rAoff, cAoff ! offsets of A
integer, intent(in) :: rBoff, cBoff ! offsets of B
integer(i4), intent(in) :: Aidx, Bidx ! indices for matrix A and B
integer(i4), intent(in) :: lda, ldb ! lda for matrix A and B
integer(i4), intent(in) :: m, n ! size of the submatrix
integer(i4), intent(in) :: rAoff, cAoff ! offsets of A
integer(i4), intent(in) :: rBoff, cBoff ! offsets of B
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_SUBCOPY
iS%m = m
......@@ -332,13 +332,13 @@ contains
implicit none
!**** INPUT ***********************************!
integer, intent(in) :: m ! height of B
integer, intent(in) :: n ! width of B
integer, intent(in) :: Aidx, Bidx ! indices for matrix A and B
integer(i4), intent(in) :: m ! height of B
integer(i4), intent(in) :: n ! width of B
integer(i4), intent(in) :: Aidx, Bidx ! indices for matrix A and B
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_SUBCOL
iS%m = m
......@@ -356,13 +356,13 @@ contains
implicit none
!**** INPUT ***********************************!
integer, intent(in) :: m ! height of B
integer, intent(in) :: n ! width of B
integer, intent(in) :: Aidx, Bidx ! indices for matrix A and B
integer(i4), intent(in) :: m ! height of B
integer(i4), intent(in) :: n ! width of B
integer(i4), intent(in) :: Aidx, Bidx ! indices for matrix A and B
!**** OUTPUT ***********************************!
type(rci_instr), intent(out) :: iS
integer(kind=i4), intent(out) :: task
type(rci_instr), intent(out) :: iS
integer(i4), intent(out) :: task
task = RCI_SUBROW
iS%m = m
......@@ -380,13 +380,13 @@ contains
implicit none
!**** INPUT ***********************************!
integer, intent(in) :: n ! height of A
integer, intent(in) :: Aidx ! indices for matrix A
integer, intent(in) :: lda
integer(i4), intent(in) :: n ! height of A
integer(i4), intent(in) :: Aidx ! indices for matrix A