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openSUSE:Factory:Rebuild
wannier90
a75344b646227c9d7f12d90af4a35a902e940dca.patch
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File a75344b646227c9d7f12d90af4a35a902e940dca.patch of Package wannier90
From 8ede1ab6e585c475eaa63b1e64211f43bc4fdff8 Mon Sep 17 00:00:00 2001 From: Junfeng Qiao <qiaojunfeng@outlook.com> Date: Thu, 21 Jan 2021 19:26:33 +0100 Subject: [PATCH 1/2] Allocate arrays on non-root nodes to avoid SIGSEG Although these arrays are not used by the non-root nodes, in some versions of OpenMPI (e.g. 4.0), SIGSEGV may occur when doing MPI_scatterv. Allocating 0-sized arrays could bypass the issue. --- src/disentangle.F90 | 2 ++ src/overlap.F90 | 12 ++++++++---- 2 files changed, 10 insertions(+), 4 deletions(-) diff --git a/src/disentangle.F90 b/src/disentangle.F90 index d2fbd3e25..ff3b95165 100644 --- a/src/disentangle.F90 +++ b/src/disentangle.F90 @@ -204,6 +204,8 @@ subroutine dis_main() if (on_root) then allocate (m_matrix(num_wann, num_wann, nntot, num_kpts), stat=ierr) if (ierr /= 0) call io_error('Error in allocating m_matrix in dis_main') + else + allocate (m_matrix(0, 0, 0, 0), stat=ierr) endif allocate (m_matrix_local(num_wann, num_wann, nntot, counts(my_node_id)), stat=ierr) if (ierr /= 0) call io_error('Error in allocating m_matrix_local in dis_main') diff --git a/src/overlap.F90 b/src/overlap.F90 index 457405c70..c3fd6dae8 100644 --- a/src/overlap.F90 +++ b/src/overlap.F90 @@ -64,6 +64,8 @@ subroutine overlap_allocate() if (on_root) then allocate (m_matrix_orig(num_bands, num_bands, nntot, num_kpts), stat=ierr) if (ierr /= 0) call io_error('Error in allocating m_matrix_orig in overlap_read') + else + allocate (m_matrix_orig(0, 0, 0, 0)) endif allocate (m_matrix_orig_local(num_bands, num_bands, nntot, counts(my_node_id)), stat=ierr) if (ierr /= 0) call io_error('Error in allocating m_matrix_orig_local in overlap_read') @@ -76,6 +78,8 @@ subroutine overlap_allocate() allocate (m_matrix(num_wann, num_wann, nntot, num_kpts), stat=ierr) if (ierr /= 0) call io_error('Error in allocating m_matrix in overlap_read') m_matrix = cmplx_0 + else + allocate (m_matrix(0, 0, 0, 0)) endif allocate (m_matrix_local(num_wann, num_wann, nntot, counts(my_node_id)), stat=ierr) if (ierr /= 0) call io_error('Error in allocating m_matrix_local in overlap_read') @@ -563,12 +567,12 @@ subroutine overlap_dealloc() deallocate (a_matrix, stat=ierr) if (ierr /= 0) call io_error('Error deallocating a_matrix in overlap_dealloc') end if - if (on_root) then +! if (on_root) then if (allocated(m_matrix_orig)) then deallocate (m_matrix_orig, stat=ierr) if (ierr /= 0) call io_error('Error deallocating m_matrix_orig in overlap_dealloc') endif - endif +! endif if (allocated(m_matrix_orig_local)) then deallocate (m_matrix_orig_local, stat=ierr) if (ierr /= 0) call io_error('Error deallocating m_matrix_orig_local in overlap_dealloc') @@ -588,12 +592,12 @@ subroutine overlap_dealloc() ! if (ierr/=0) call io_error('Error deallocating m_matrix_local in overlap_dealloc') ! deallocate ( u_matrix, stat=ierr ) ! if (ierr/=0) call io_error('Error deallocating u_matrix in overlap_dealloc') - if (on_root) then +! if (on_root) then if (allocated(m_matrix)) then deallocate (m_matrix, stat=ierr) if (ierr /= 0) call io_error('Error deallocating m_matrix in overlap_dealloc') endif - endif +! endif if (allocated(m_matrix_local)) then deallocate (m_matrix_local, stat=ierr) if (ierr /= 0) call io_error('Error deallocating m_matrix_local in overlap_dealloc') From a8a10661c9dcd461706d39387c822d0effb1b964 Mon Sep 17 00:00:00 2001 From: Junfeng Qiao <qiaojunfeng@outlook.com> Date: Mon, 12 Jul 2021 22:53:56 +0200 Subject: [PATCH 2/2] Format code to pass pre-commit --- src/overlap.F90 | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/src/overlap.F90 b/src/overlap.F90 index c3fd6dae8..0b0f84cf6 100644 --- a/src/overlap.F90 +++ b/src/overlap.F90 @@ -593,10 +593,10 @@ subroutine overlap_dealloc() ! deallocate ( u_matrix, stat=ierr ) ! if (ierr/=0) call io_error('Error deallocating u_matrix in overlap_dealloc') ! if (on_root) then - if (allocated(m_matrix)) then - deallocate (m_matrix, stat=ierr) - if (ierr /= 0) call io_error('Error deallocating m_matrix in overlap_dealloc') - endif + if (allocated(m_matrix)) then + deallocate (m_matrix, stat=ierr) + if (ierr /= 0) call io_error('Error deallocating m_matrix in overlap_dealloc') + endif ! endif if (allocated(m_matrix_local)) then deallocate (m_matrix_local, stat=ierr)
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