PTEROSOR/QuantumPackage
10
0
Fork 0
mirror of https://github.com/QuantumPackage/qp2.git synced 2024-06-26 15:12:19 +02:00
Code Releases Activity

Merge branch 'dev' of github.com:QuantumPackage/qp2 into dev

Browse Source
This commit is contained in:
Anthony Scemama 2021-06-01 10:27:38 +02:00
commit 0ad8058aea
13 changed files with 436 additions and 85 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

4
config/ifort.cfg
View File

@ -7,9 +7,9 @@
#
[COMMON]
FC : ifort -fpic
LAPACK_LIB : -mkl=parallel
LAPACK_LIB : -mkl=parallel -lirc -lsvml -limf -lipps
IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32
IRPF90_FLAGS : --ninja --align=32 -DINTEL
# Global options
################

4
config/ifort_avx.cfg
View File

@ -7,9 +7,9 @@
#
[COMMON]
FC : ifort -fpic
LAPACK_LIB : -mkl=parallel
LAPACK_LIB : -mkl=parallel -lirc -lsvml -limf -lipps
IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32
IRPF90_FLAGS : --ninja --align=32 -DINTEL
# Global options
################

4
config/ifort_avx_mpi.cfg
View File

@ -7,9 +7,9 @@
#
[COMMON]
FC : mpiifort -fpic
LAPACK_LIB : -mkl=parallel
LAPACK_LIB : -mkl=parallel -lirc -lsvml -limf -lipps
IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 -DMPI
IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL
# Global options
################

4
config/ifort_debug.cfg
View File

@ -7,9 +7,9 @@
#
[COMMON]
FC : ifort -fpic
LAPACK_LIB : -mkl=parallel
LAPACK_LIB : -mkl=parallel -lirc -lsvml -limf -lipps
IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 --assert
IRPF90_FLAGS : --ninja --align=32 --assert -DINTEL
# Global options
################

4
config/ifort_mpi.cfg
View File

@ -7,9 +7,9 @@
#
[COMMON]
FC : mpiifort -fpic
LAPACK_LIB : -mkl=parallel
LAPACK_LIB : -mkl=parallel -lirc -lsvml -limf -lipps
IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32 -DMPI
IRPF90_FLAGS : --ninja --align=32 -DMPI -DINTEL
# Global options
################

8
config/ifort_rome.cfg
View File

@ -7,9 +7,9 @@
#
[COMMON]
FC : ifort -fpic
LAPACK_LIB : -mkl=parallel
LAPACK_LIB : -mkl=parallel -lirc -lsvml -limf -lipps
IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=32
IRPF90_FLAGS : --ninja --align=32 -DINTEL
# Global options
################
@ -31,8 +31,8 @@ OPENMP : 1 ; Append OpenMP flags
# -ftz : Flushes denormal results to zero
#
[OPT]
FC : -traceback
FCFLAGS : -O2 -ip -g -march=core-avx2 -align array64byte -fma -ftz -fomit-frame-pointer
FC : -traceback -shared-intel
FCFLAGS : -O2 -ip -g -march=core-avx2 -align array64byte -fma -ftz -fomit-frame-pointer
# Profiling flags
#################

6
config/ifort_xHost.cfg
View File

@ -6,10 +6,10 @@
# --align=32 : Align all provided arrays on a 32-byte boundary
#
[COMMON]
FC : ifort -fpic
LAPACK_LIB : -mkl=parallel
FC : ifort -fpic
LAPACK_LIB : -mkl=parallel -lirc -lsvml -limf -lipps
IRPF90 : irpf90
IRPF90_FLAGS : --ninja --align=64
IRPF90_FLAGS : --ninja --align=64 -DINTEL
# Global options
################

19
src/ao_one_e_ints/pseudopot.f90
View File

@ -96,8 +96,12 @@ end
! x=cos(theta)
double precision function ylm_real(l,m,x,phi)
implicit double precision (a-h,o-z)
DIMENSION PM(0:100,0:100)
implicit none
integer :: MM, iabs_m, m, l
double precision :: pi, fourpi, factor, x, phi, coef
double precision :: xchap, ychap, zchap
double precision, external :: fact
double precision :: PM(0:100,0:100), plm
MM=100
pi=dacos(-1.d0)
fourpi=4.d0*pi
@ -1150,8 +1154,10 @@ end
! Output: PM(m,n) --- Pmn(x)
! =====================================================
!
IMPLICIT DOUBLE PRECISION (P,X)
DIMENSION PM(0:MM,0:(N+1))
implicit none
! IMPLICIT DOUBLE PRECISION (P,X)
integer :: MM, N, I, J, M
double precision :: PM(0:MM,0:(N+1)), X, XQ, XS
DOUBLE PRECISION, SAVE :: INVERSE(100) = 0.D0
DOUBLE PRECISION :: LS, II, JJ
IF (INVERSE(1) == 0.d0) THEN
@ -1202,8 +1208,9 @@ end
! P_l^|m|(cos(theta)) exp(i m phi)
subroutine erreur(x,n,rmoy,error)
implicit double precision(a-h,o-z)
dimension x(n)
implicit none
integer :: i, n
double precision :: x(n), rn, rn1, error, rmoy
! calcul de la moyenne
rmoy=0.d0
do i=1,n

7
src/cipsi/selection.irp.f
View File

@ -253,12 +253,7 @@ subroutine select_singles_and_doubles(i_generator,hole_mask,particle_mask,fock_d
deallocate(exc_degree)
nmax=k-1
allocate(iorder(nmax))
do i=1,nmax
iorder(i) = i
enddo
call isort(indices,iorder,nmax)
deallocate(iorder)
call isort_noidx(indices,nmax)
! Start with 32 elements. Size will double along with the filtering.
allocate(preinteresting(0:32), prefullinteresting(0:32), &

78
src/csf/sigma_vector.irp.f
View File

@ -1,3 +1,9 @@
real*8 function lgamma(x)
implicit none
real*8, intent(in) :: x
lgamma = log(abs(gamma(x)))
end function lgamma
BEGIN_PROVIDER [ integer, NSOMOMax]
&BEGIN_PROVIDER [ integer, NCSFMax]
&BEGIN_PROVIDER [ integer*8, NMO]
@ -22,33 +28,65 @@
integer NSOMO
integer dimcsfpercfg
integer detDimperBF
real*8 :: coeff
real*8 :: coeff, binom1, binom2
integer MS
integer ncfgpersomo
real*8, external :: lgamma
detDimperBF = 0
MS = elec_alpha_num-elec_beta_num
! number of cfgs = number of dets for 0 somos
n_CSF = cfg_seniority_index(0)-1
n_CSF = 0
ncfgprev = cfg_seniority_index(0)
do i = 0-iand(MS,1)+2, NSOMOMax,2
if(cfg_seniority_index(i) .EQ. -1)then
ncfgpersomo = N_configuration + 1
else
ncfgpersomo = cfg_seniority_index(i)
endif
ncfg = ncfgpersomo - ncfgprev
!detDimperBF = max(1,nint((binom(i,(i+1)/2))))
if (i > 2) then
dimcsfpercfg = max(1,nint((binom(i-2,(i-2+1)/2)-binom(i-2,((i-2+1)/2)+1))))
else
dimcsfpercfg = 1
endif
n_CSF += ncfg * dimcsfpercfg
!if(cfg_seniority_index(i+2) == -1) EXIT
!if(detDimperBF > maxDetDimPerBF) maxDetDimPerBF = detDimperBF
ncfgprev = cfg_seniority_index(i)
ncfgpersomo = ncfgprev
do i = iand(MS,1), NSOMOMax-2,2
if(cfg_seniority_index(i) .EQ. -1) then
cycle
endif
if(cfg_seniority_index(i+2) .EQ. -1) then
ncfgpersomo = N_configuration + 1
else
if(cfg_seniority_index(i+2) > ncfgpersomo) then
ncfgpersomo = cfg_seniority_index(i+2)
else
k = 0
do while(cfg_seniority_index(i+2+k) < ncfgpersomo)
k = k + 2
ncfgpersomo = cfg_seniority_index(i+2+k)
enddo
endif
endif
ncfg = ncfgpersomo - ncfgprev
if(iand(MS,1) .EQ. 0) then
!dimcsfpercfg = max(1,nint((binom(i,i/2)-binom(i,i/2+1))))
binom1 = dexp(lgamma(1.0d0*(i+1)) &
- lgamma(1.0d0*((i/2)+1)) &
- lgamma(1.0d0*(i-((i/2))+1)));
binom2 = dexp(lgamma(1.0d0*(i+1)) &
- lgamma(1.0d0*(((i/2)+1)+1)) &
- lgamma(1.0d0*(i-((i/2)+1)+1)));
dimcsfpercfg = max(1,nint(binom1 - binom2))
else
!dimcsfpercfg = max(1,nint((binom(i,(i+1)/2)-binom(i,(i+3)/2))))
binom1 = dexp(lgamma(1.0d0*(i+1)) &
- lgamma(1.0d0*(((i+1)/2)+1)) &
- lgamma(1.0d0*(i-(((i+1)/2))+1)));
binom2 = dexp(lgamma(1.0d0*(i+1)) &
- lgamma(1.0d0*((((i+3)/2)+1)+1)) &
- lgamma(1.0d0*(i-(((i+3)/2)+1)+1)));
dimcsfpercfg = max(1,nint(binom1 - binom2))
endif
n_CSF += ncfg * dimcsfpercfg
if(cfg_seniority_index(i+2) > ncfgprev) then
ncfgprev = cfg_seniority_index(i+2)
else
k = 0
do while(cfg_seniority_index(i+2+k) < ncfgprev)
k = k + 2
ncfgprev = cfg_seniority_index(i+2+k)
enddo
endif
enddo
END_PROVIDER
END_PROVIDER
subroutine get_phase_qp_to_cfg(Ialpha, Ibeta, phaseout)

1
src/davidson/diagonalization_hcsf_dressed.irp.f
View File

@ -197,6 +197,7 @@ subroutine davidson_diag_csf_hjj(dets_in,u_in,H_jj,energies,dim_in,sze,sze_csf,N
call write_int(6,N_st,'Number of states')
call write_int(6,N_st_diag,'Number of states in diagonalization')
call write_int(6,sze,'Number of determinants')
call write_int(6,sze_csf,'Number of CSFs')
call write_int(6,nproc_target,'Number of threads for diagonalization')
call write_double(6, r1, 'Memory(Gb)')
if (disk_based) then

173
src/utils/intel.f90 Normal file
View File

@ -0,0 +1,173 @@
module intel
use, intrinsic :: iso_c_binding
interface
subroutine ippsSortAscend_32s_I(pSrc, len) bind(C, name='ippsSortAscend_32s_I')
use iso_c_binding
integer, intent(in), value :: len
integer, intent(inout) :: pSrc(len)
end
end interface
interface
subroutine ippsSortAscend_32f_I(pSrc, len) bind(C, name='ippsSortAscend_32f_I')
use iso_c_binding
integer, intent(in), value :: len
real, intent(inout) :: pSrc(len)
end
end interface
interface
subroutine ippsSortAscend_64s_I(pSrc, len) bind(C, name='ippsSortAscend_64s_I')
use iso_c_binding
integer, intent(in), value :: len
integer*8, intent(inout) :: pSrc(len)
end
end interface
interface
subroutine ippsSortAscend_64f_I(pSrc, len) bind(C, name='ippsSortAscend_64f_I')
use iso_c_binding
integer, intent(in), value :: len
double precision, intent(inout) :: pSrc(len)
end
end interface
interface
subroutine ippsSortRadixIndexGetBufferSize(len, dataType, pBufSize) bind(C, name='ippsSortRadixIndexGetBufferSize')
use iso_c_binding
integer, intent(in), value :: len
integer, intent(in), value :: dataType
integer, intent(out) :: pBufSize
end
end interface
interface
subroutine ippsSortRadixAscend_16s_I(pSrc, len, pTmp) bind(C, name='ippsSortRadixAscend_16s_I')
use iso_c_binding
integer, intent(in), value :: len
integer*2, intent(inout) :: pSrc(len)
character, intent(inout) :: pTmp(len)
end
end interface
interface
subroutine ippsSortRadixAscend_32s_I(pSrc, len, pTmp) bind(C, name='ippsSortRadixAscend_32s_I')
use iso_c_binding
integer, intent(in), value :: len
integer, intent(inout) :: pSrc(len)
character, intent(inout) :: pTmp(len)
end
end interface
interface
subroutine ippsSortRadixAscend_32f_I(pSrc, len, pTmp) bind(C, name='ippsSortRadixAscend_32f_I')
use iso_c_binding
integer, intent(in), value :: len
real, intent(inout) :: pSrc(len)
character, intent(inout) :: pTmp(len)
end
end interface
interface
subroutine ippsSortRadixAscend_64s_I(pSrc, len, pTmp) bind(C, name='ippsSortRadixAscend_64s_I')
use iso_c_binding
integer, intent(in), value :: len
integer*8, intent(inout) :: pSrc(len)
character, intent(inout) :: pTmp(len)
end
end interface
interface
subroutine ippsSortRadixAscend_64f_I(pSrc, len, pTmp) bind(C, name='ippsSortRadixAscend_64f_I')
use iso_c_binding
integer, intent(in), value :: len
double precision, intent(inout) :: pSrc(len)
character, intent(inout) :: pTmp(len)
end
end interface
interface
subroutine ippsSortRadixIndexAscend_16s(pSrc, srcStrideBytes, pDstIndx, len, pTmpIndx) bind(C, name='ippsSortRadixIndexAscend_16s')
use iso_c_binding
integer, intent(in), value :: len
integer*2, intent(inout) :: pSrc(len)
integer, intent(in), value :: srcStrideBytes
integer, intent(inout) :: pDstIndx(len)
character, intent(inout) :: pTmpIndx(len)
end
end interface
interface
subroutine ippsSortRadixIndexAscend_32s(pSrc, srcStrideBytes, pDstIndx, len, pTmpIndx) bind(C, name='ippsSortRadixIndexAscend_32s')
use iso_c_binding
integer, intent(in), value :: len
integer, intent(inout) :: pSrc(len)
integer, intent(in), value :: srcStrideBytes
integer, intent(inout) :: pDstIndx(len)
character, intent(inout) :: pTmpIndx(len)
end
end interface
interface
subroutine ippsSortRadixIndexAscend_32f(pSrc, srcStrideBytes, pDstIndx, len, pTmpIndx) bind(C,name='ippsSortRadixIndexAscend_32f')
use iso_c_binding
integer, intent(in), value :: len
real , intent(inout) :: pSrc(len)
integer, intent(in), value :: srcStrideBytes
integer, intent(inout) :: pDstIndx(len)
character, intent(inout) :: pTmpIndx(len)
end
end interface
interface
subroutine ippsSortRadixIndexAscend_64s(pSrc, srcStrideBytes, pDstIndx, len, pTmpIndx) bind(C, name='ippsSortRadixIndexAscend_64s')
use iso_c_binding
integer, intent(in), value :: len
integer*8, intent(inout) :: pSrc(len)
integer, intent(in), value :: srcStrideBytes
integer, intent(inout) :: pDstIndx(len)
character, intent(inout) :: pTmpIndx(len)
end
end interface
interface
subroutine ippsSortRadixIndexAscend_64f(pSrc, srcStrideBytes, pDstIndx, len, pTmpIndx) bind(C,name='ippsSortRadixIndexAscend_64f')
use iso_c_binding
integer, intent(in), value :: len
real*8 , intent(inout) :: pSrc(len)
integer, intent(in), value :: srcStrideBytes
integer, intent(inout) :: pDstIndx(len)
character, intent(inout) :: pTmpIndx(len)
end
end interface
interface
subroutine ippsSortIndexAscend_32f_I(pSrcDst, pDstIndx, len) bind(C,name='ippsSortIndexAscend_32f_I')
use iso_c_binding
real(4), intent(in) :: pSrcDst(*)
integer(4), intent(inout) :: pDstIndx(*)
integer(4), intent(in), value :: len
end
end interface
interface
subroutine ippsSortIndexAscend_32s_I(pSrcDst, pDstIndx, len) bind(C,name='ippsSortIndexAscend_32s_I')
use iso_c_binding
integer(4), intent(in) :: pSrcDst(*)
integer(4), intent(inout) :: pDstIndx(*)
integer(4), intent(in), value :: len
end
end interface
interface
subroutine ippsSortIndexAscend_64f_I(pSrcDst, pDstIndx, len) bind(C,name='ippsSortIndexAscend_64f_I')
use iso_c_binding
real(8), intent(in) :: pSrcDst(*)
integer(4), intent(inout) :: pDstIndx(*)
integer(4), intent(in), value :: len
end
end interface
interface
subroutine ippsSortIndexAscend_64s_I(pSrcDst, pDstIndx, len) bind(C,name='ippsSortIndexAscend_64s_I')
use iso_c_binding
integer(8), intent(in) :: pSrcDst(*)
integer(4), intent(inout) :: pDstIndx(*)
integer(4), intent(in), value :: len
end
end interface
interface
subroutine ippsSortIndexAscend_16s_I(pSrcDst, pDstIndx, len) bind(C,name='ippsSortIndexAscend_16s_I')
use iso_c_binding
integer(2), intent(in) :: pSrcDst(*)
integer(4), intent(inout) :: pDstIndx(*)
integer(4), intent(in), value :: len
end
end interface
end module

209
src/utils/sort.irp.f
View File

@ -38,15 +38,7 @@ BEGIN_TEMPLATE
$type,intent(inout) :: x(isize)
integer,intent(inout) :: iorder(isize)
integer, external :: omp_get_num_threads
if (omp_get_num_threads() == 1) then
!$OMP PARALLEL DEFAULT(SHARED)
!$OMP SINGLE
call rec_$X_quicksort(x,iorder,isize,1,isize,nproc)
!$OMP END SINGLE
!$OMP END PARALLEL
else
call rec_$X_quicksort(x,iorder,isize,1,isize,nproc)
endif
call rec_$X_quicksort(x,iorder,isize,1,isize,nproc)
end
recursive subroutine rec_$X_quicksort(x, iorder, isize, first, last, level)
@ -57,7 +49,7 @@ BEGIN_TEMPLATE
$type :: c, tmp
integer :: itmp
integer :: i, j
if(isize<2)return
c = x( shiftr(first+last,1) )
@ -89,16 +81,11 @@ BEGIN_TEMPLATE
endif
else
if (first < i-1) then
!$OMP TASK DEFAULT(SHARED) FIRSTPRIVATE(isize,first,i,level)
call rec_$X_quicksort(x, iorder, isize, first, i-1,level/2)
!$OMP END TASK
endif
if (j+1 < last) then
!$OMP TASK DEFAULT(SHARED) FIRSTPRIVATE(isize,last,j,level)
call rec_$X_quicksort(x, iorder, isize, j+1, last,level/2)
!$OMP END TASK
endif
!$OMP TASKWAIT
endif
end
@ -262,7 +249,60 @@ SUBST [ X, type ]
i2 ; integer*2 ;;
END_TEMPLATE
!---------------------- INTEL
IRP_IF INTEL
BEGIN_TEMPLATE
subroutine $Xsort(x,iorder,isize)
use intel
implicit none
BEGIN_DOC
! Sort array x(isize).
! iorder in input should be (1,2,3,...,isize), and in output
! contains the new order of the elements.
END_DOC
integer,intent(in) :: isize
$type,intent(inout) :: x(isize)
integer,intent(inout) :: iorder(isize)
integer :: n
character, allocatable :: tmp(:)
if (isize < 2) return
call ippsSortRadixIndexGetBufferSize(isize, $ippsz, n)
allocate(tmp(n))
call ippsSortRadixIndexAscend_$ityp(x, $n, iorder, isize, tmp)
deallocate(tmp)
iorder(1:isize) = iorder(1:isize)+1
call $Xset_order(x,iorder,isize)
end
subroutine $Xsort_noidx(x,isize)
use intel
implicit none
BEGIN_DOC
! Sort array x(isize).
! iorder in input should be (1,2,3,...,isize), and in output
! contains the new order of the elements.
END_DOC
integer,intent(in) :: isize
$type,intent(inout) :: x(isize)
integer :: n
character, allocatable :: tmp(:)
if (isize < 2) return
call ippsSortRadixIndexGetBufferSize(isize, $ippsz, n)
allocate(tmp(n))
call ippsSortRadixAscend_$ityp_I(x, isize, tmp)
deallocate(tmp)
end
SUBST [ X, type, ityp, n, ippsz ]
; real ; 32f ; 4 ; 13 ;;
i ; integer ; 32s ; 4 ; 11 ;;
i2 ; integer*2 ; 16s ; 2 ; 7 ;;
END_TEMPLATE
BEGIN_TEMPLATE
subroutine $Xsort(x,iorder,isize)
implicit none
BEGIN_DOC
@ -289,12 +329,12 @@ BEGIN_TEMPLATE
endif
end subroutine $Xsort
SUBST [ X, type, Y ]
; real ; i ;;
d ; double precision ; i8 ;;
SUBST [ X, type ]
d ; double precision ;;
END_TEMPLATE
BEGIN_TEMPLATE
subroutine $Xsort(x,iorder,isize)
implicit none
BEGIN_DOC
@ -306,8 +346,112 @@ BEGIN_TEMPLATE
$type,intent(inout) :: x(isize)
integer,intent(inout) :: iorder(isize)
integer :: n
! call $Xradix_sort(x,iorder,isize,-1)
call quick_$Xsort(x,iorder,isize)
if (isize < 2) then
return
endif
call sorted_$Xnumber(x,isize,n)
if (isize == n) then
return
endif
if ( isize < 32) then
call insertion_$Xsort(x,iorder,isize)
else
call $Xradix_sort(x,iorder,isize,-1)
endif
end subroutine $Xsort
SUBST [ X, type ]
i8 ; integer*8 ;;
END_TEMPLATE
!---------------------- END INTEL
IRP_ELSE
!---------------------- NON-INTEL
BEGIN_TEMPLATE
subroutine $Xsort_noidx(x,isize)
implicit none
BEGIN_DOC
! Sort array x(isize).
END_DOC
integer,intent(in) :: isize
$type,intent(inout) :: x(isize)
integer, allocatable :: iorder(:)
integer :: i
allocate(iorder(isize))
do i=1,isize
iorder(i)=i
enddo
call $Xsort(x,iorder,isize)
deallocate(iorder)
end subroutine $Xsort_noidx
SUBST [ X, type ]
; real ;;
d ; double precision ;;
i ; integer ;;
i8 ; integer*8 ;;
i2 ; integer*2 ;;
END_TEMPLATE
BEGIN_TEMPLATE
subroutine $Xsort(x,iorder,isize)
implicit none
BEGIN_DOC
! Sort array x(isize).
! iorder in input should be (1,2,3,...,isize), and in output
! contains the new order of the elements.
END_DOC
integer,intent(in) :: isize
$type,intent(inout) :: x(isize)
integer,intent(inout) :: iorder(isize)
integer :: n
if (isize < 2) then
return
endif
! call sorted_$Xnumber(x,isize,n)
! if (isize == n) then
! return
! endif
if ( isize < 32) then
call insertion_$Xsort(x,iorder,isize)
else
! call heap_$Xsort(x,iorder,isize)
call quick_$Xsort(x,iorder,isize)
endif
end subroutine $Xsort
SUBST [ X, type ]
; real ;;
d ; double precision ;;
END_TEMPLATE
BEGIN_TEMPLATE
subroutine $Xsort(x,iorder,isize)
implicit none
BEGIN_DOC
! Sort array x(isize).
! iorder in input should be (1,2,3,...,isize), and in output
! contains the new order of the elements.
END_DOC
integer,intent(in) :: isize
$type,intent(inout) :: x(isize)
integer,intent(inout) :: iorder(isize)
integer :: n
if (isize < 2) then
return
endif
call sorted_$Xnumber(x,isize,n)
if (isize == n) then
return
endif
if ( isize < 32) then
call insertion_$Xsort(x,iorder,isize)
else
call $Xradix_sort(x,iorder,isize,-1)
endif
end subroutine $Xsort
SUBST [ X, type ]
@ -316,6 +460,11 @@ SUBST [ X, type ]
i2 ; integer*2 ;;
END_TEMPLATE
IRP_ENDIF
!---------------------- END NON-INTEL
BEGIN_TEMPLATE
subroutine $Xset_order(x,iorder,isize)
implicit none
@ -413,10 +562,12 @@ SUBST [ X, type ]
i2; integer*2 ;;
END_TEMPLATE
BEGIN_TEMPLATE
recursive subroutine $Xradix_sort$big(x,iorder,isize,iradix)
recursive subroutine $Xradix_sort$big(x,iorder,isize,iradix)
implicit none
BEGIN_DOC
! Sort integer array x(isize) using the radix sort algorithm.
! iorder in input should be (1,2,3,...,isize), and in output
@ -552,24 +703,14 @@ BEGIN_TEMPLATE
endif
! !$OMP PARALLEL DEFAULT(SHARED) if (isize > 1000000)
! !$OMP SINGLE
if (i3>1_$int_type) then
! !$OMP TASK FIRSTPRIVATE(iradix_new,i3) SHARED(x,iorder) if(i3 > 1000000)
call $Xradix_sort$big(x,iorder,i3,iradix_new-1)
! !$OMP END TASK
endif
if (isize-i3>1_$int_type) then
! !$OMP TASK FIRSTPRIVATE(iradix_new,i3) SHARED(x,iorder) if(isize-i3 > 1000000)
call $Xradix_sort$big(x(i3+1_$int_type),iorder(i3+1_$int_type),isize-i3,iradix_new-1)
! !$OMP END TASK
endif
! !$OMP TASKWAIT
! !$OMP END SINGLE
! !$OMP END PARALLEL
return
endif
@ -624,16 +765,11 @@ BEGIN_TEMPLATE
if (i1>1_$int_type) then
!$OMP TASK FIRSTPRIVATE(i0,iradix,i1) SHARED(x,iorder) if(i1 >1000000)
call $Xradix_sort$big(x(i0+1_$int_type),iorder(i0+1_$int_type),i1,iradix-1)
!$OMP END TASK
endif
if (i0>1) then
!$OMP TASK FIRSTPRIVATE(i0,iradix) SHARED(x,iorder) if(i0 >1000000)
call $Xradix_sort$big(x,iorder,i0,iradix-1)
!$OMP END TASK
endif
!$OMP TASKWAIT
end
@ -646,3 +782,4 @@ SUBST [ X, type, integer_size, is_big, big, int_type ]
END_TEMPLATE