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https://github.com/LCPQ/quantum_package
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Fixed MPI
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@ -12,6 +12,7 @@ subroutine broadcast_chunks_$double(A, LDA)
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integer :: i, sze, ierr
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integer :: i, sze, ierr
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do i=1,LDA,2000000000/$8
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do i=1,LDA,2000000000/$8
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sze = min(LDA-i+1, 2000000000/$8)
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sze = min(LDA-i+1, 2000000000/$8)
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! call MPI_BARRIER(MPI_COMM_WORLD)
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call MPI_BCAST (A(i), sze, MPI_$DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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call MPI_BCAST (A(i), sze, MPI_$DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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if (ierr /= MPI_SUCCESS) then
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print *, 'Unable to broadcast chuks $double ', i
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print *, 'Unable to broadcast chuks $double ', i
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@ -43,18 +44,21 @@ subroutine mpi_bcast_psi(energy, size_energy)
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include 'mpif.h'
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include 'mpif.h'
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integer :: ierr
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integer :: ierr
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! call MPI_BARRIER(MPI_COMM_WORLD)
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call MPI_BCAST (N_states, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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call MPI_BCAST (N_states, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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if (ierr /= MPI_SUCCESS) then
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print *, 'Unable to broadcast N_states'
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print *, 'Unable to broadcast N_states'
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stop -1
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stop -1
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endif
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endif
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! call MPI_BARRIER(MPI_COMM_WORLD)
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call MPI_BCAST (N_det, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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call MPI_BCAST (N_det, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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if (ierr /= MPI_SUCCESS) then
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print *, 'Unable to broadcast N_det'
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print *, 'Unable to broadcast N_det'
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stop -1
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stop -1
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endif
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endif
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! call MPI_BARRIER(MPI_COMM_WORLD)
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call MPI_BCAST (psi_det_size, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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call MPI_BCAST (psi_det_size, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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if (ierr /= MPI_SUCCESS) then
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print *, 'Unable to broadcast psi_det_size'
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print *, 'Unable to broadcast psi_det_size'
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@ -66,33 +70,15 @@ subroutine mpi_bcast_psi(energy, size_energy)
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endif
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endif
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call broadcast_chunks_bit_kind(psi_det,size(psi_det))
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call broadcast_chunks_bit_kind(psi_det,N_det*N_int*2)
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! integer :: i, k, sze
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! do i=1,psi_det_size,1000000000/(N_int*bit_kind_size)
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! sze = min(psi_det_size-i+1, 1000000000/(N_int*bit_kind_size))
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! call MPI_BCAST (psi_det(1,1,i), sze*N_int*2, MPI_BIT_KIND, 0, MPI_COMM_WORLD, ierr)
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! if (ierr /= MPI_SUCCESS) then
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! print *, 'Unable to broadcast psi_det ', i
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! stop -1
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! endif
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! enddo
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call broadcast_chunks_double(psi_coef,size(psi_coef))
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call broadcast_chunks_double(psi_coef,N_states*N_det)
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! do k=1,N_states
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! do i=1,psi_det_size,2000000000/8
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! sze = min(psi_det_size-i+1, 2000000000/8)
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! call MPI_BCAST (psi_coef(i,k), sze, MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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! if (ierr /= MPI_SUCCESS) then
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! print *, 'Unable to broadcast psi_coef ', i, k
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! stop -1
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! endif
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! enddo
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! enddo
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if (.not.mpi_master) then
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if (.not.mpi_master) then
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TOUCH psi_det psi_coef
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TOUCH psi_det psi_coef
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endif
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endif
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! call MPI_BARRIER(MPI_COMM_WORLD)
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call MPI_BCAST (N_det_generators, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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call MPI_BCAST (N_det_generators, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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if (ierr /= MPI_SUCCESS) then
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print *, 'Unable to broadcast N_det_generators'
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print *, 'Unable to broadcast N_det_generators'
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@ -103,6 +89,7 @@ subroutine mpi_bcast_psi(energy, size_energy)
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TOUCH N_det_generators
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TOUCH N_det_generators
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endif
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endif
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! call MPI_BARRIER(MPI_COMM_WORLD)
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call MPI_BCAST (N_det_selectors, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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call MPI_BCAST (N_det_selectors, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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if (ierr /= MPI_SUCCESS) then
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print *, 'Unable to broadcast N_det_selectors'
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print *, 'Unable to broadcast N_det_selectors'
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@ -113,11 +100,13 @@ subroutine mpi_bcast_psi(energy, size_energy)
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TOUCH N_det_selectors
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TOUCH N_det_selectors
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endif
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endif
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! call MPI_BARRIER(MPI_COMM_WORLD)
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call MPI_BCAST (energy, size(energy), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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call MPI_BCAST (energy, size(energy), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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if (ierr /= MPI_SUCCESS) then
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print *, 'Unable to broadcast energy'
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print *, 'Unable to broadcast energy'
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stop -1
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stop -1
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endif
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endif
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! call MPI_BARRIER(MPI_COMM_WORLD)
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IRP_ENDIF
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IRP_ENDIF
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end
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end
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