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Merged
tkoskela merged 16 commits into from
Jan 16, 2024
Merged

Test all multiply kernels in CI #292

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344a43a
Test all multiply kernels in CI
tkoskela Nov 29, 2023
bfa578c
Fix typo in kernel name
tkoskela Nov 29, 2023
12e6f3c
Remove dangling end parallel
tkoskela Nov 29, 2023
dc5ea58
Fix typo in omp directive
tkoskela Nov 29, 2023
631647d
Add multiply kernel to job name
tkoskela Nov 29, 2023
3ce570c
Remove parallel region from Doji kernel
tkoskela Nov 29, 2023
7f36d92
Add memory error test
tkoskela Nov 29, 2023
3a1909b
Use assumed-shape arrays for remote index arrays to avoid memory leaks
tkoskela Nov 30, 2023
b73c7ba
Merge branch 'tk-fix-multiply-kernel-memory-leak' into tk-ci-test-mul…
tkoskela Nov 30, 2023
3d9a27d
Remove failing memory error test
tkoskela Nov 30, 2023
9a915dc
Test running all kernels only on manual dispatch
tkoskela Nov 30, 2023
611de21
Make job name more verbose
tkoskela Nov 30, 2023
925592b
Remove commented out code
tkoskela Nov 30, 2023
1f27741
Set MULT_KERN by passing an argument to make
tkoskela Nov 30, 2023
38c8f75
Remove memory error test
tkoskela Nov 30, 2023
756d4f1
Remove MULT_KERN from system.gha.make
tkoskela Nov 30, 2023
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44 changes: 41 additions & 3 deletions .github/workflows/makefile.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -5,10 +5,19 @@ on:
branches: [ "develop" ]
pull_request:
branches: [ "develop" ]
# Manual dispatch for including all multiply kernels in matrix.
# We don't want this to run on every commit, but it's useful
# to be able to launch it manually
workflow_dispatch:
inputs:
multiply_kernel_test:
description: 'test all multiply kernels, instead of default only'
required: false
default: false

jobs:
build:
name: ${{matrix.fc}} -- ${{matrix.os}} -- ${{matrix.np}} processes -- ${{matrix.threads}} threads
name: ${{matrix.fc}} -- ${{matrix.os}} -- ${{matrix.multiply_kernel}} multiply kernel -- ${{matrix.np}} processes -- ${{matrix.threads}} threads
runs-on: ${{matrix.os}}
env:
FC: ${{matrix.fc}}
Expand All @@ -34,6 +43,35 @@ jobs:
- 2
# TODO: Could be worth testing on `mpich` in addition to `openmpi-bin`. Both are
# available in apt
multiply_kernel:
- default
- gemm
- ompDoii
- ompDoik
- ompDoji
- ompDojk
- ompGemm
- ompGemm_m
# As a work-around, copy the multiply_kernel_test variable to the matrix and
# exclude non-default multiply kernels when it's false
# https://github.com/orgs/community/discussions/26253#discussioncomment-3250989
test_all_multiply_kernels:
- ${{github.event.inputs.multiply_kernel_test}}
exclude:
- test_all_multiply_kernels: false
multiply_kernel: gemm
- test_all_multiply_kernels: false
multiply_kernel: ompDoii
- test_all_multiply_kernels: false
multiply_kernel: ompDoik
- test_all_multiply_kernels: false
multiply_kernel: ompDoji
- test_all_multiply_kernels: false
multiply_kernel: ompDojk
- test_all_multiply_kernels: false
multiply_kernel: ompGemm
- test_all_multiply_kernels: false
multiply_kernel: ompGemm_m

steps:
- uses: actions/checkout@v3
Expand Down Expand Up @@ -62,7 +100,7 @@ jobs:
- name: Build
working-directory: ${{github.workspace}}/src
run: |
make -j ${{matrix.np}} SYSTEM=gha
make -j ${{matrix.np}} SYSTEM=gha MULT_KERN=${{matrix.multiply_kernel}}

- name: Run test 001
working-directory: ${{github.workspace}}/testsuite/test_001_bulk_Si_1proc_Diag
Expand All @@ -81,7 +119,7 @@ jobs:
run: |
mpirun -np ${{matrix.np}} ../../bin/Conquest
cat Conquest_out

- name: Check test results
working-directory: ${{github.workspace}}/testsuite
run: pytest test_check_output.py
24 changes: 12 additions & 12 deletions src/multiply_kernel_default.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -148,12 +148,12 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: c(lenc)
integer, optional :: debug
! Remote indices
integer(integ) :: ib_nd_acc(mx_part)
integer(integ) :: ibaddr(mx_part)
integer(integ) :: nbnab(mx_part)
integer(integ) :: ibpart(mx_part*mx_absb)
integer(integ) :: ibseq(mx_part*mx_absb)
integer(integ) :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb) ! Automatic array
integer :: nbkbeg, k, k_in_part, k_in_halo, j, jpart, jseq
Expand Down Expand Up @@ -341,12 +341,12 @@ subroutine m_kern_min(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: b(lenb)
real(double) :: c(lenc)
! dimension declarations
integer :: ibaddr(mx_part)
integer :: ib_nd_acc(mx_part)
integer :: nbnab(mx_part)
integer :: ibpart(mx_part*mx_absb)
integer :: ibseq(mx_part*mx_absb)
integer :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb)
integer :: k, k_in_part, k_in_halo, nbkbeg, j, jpart, jseq
Expand Down
26 changes: 13 additions & 13 deletions src/multiply_kernel_gemm.f90
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Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -149,12 +149,12 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: c(lenc)
integer, optional :: debug
! Remote indices
integer(integ) :: ib_nd_acc(mx_part)
integer(integ) :: ibaddr(mx_part)
integer(integ) :: nbnab(mx_part)
integer(integ) :: ibpart(mx_part*mx_absb)
integer(integ) :: ibseq(mx_part*mx_absb)
integer(integ) :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb) ! Automatic array
integer :: nbkbeg, k, k_in_part, k_in_halo, j, jpart, jseq
Expand Down Expand Up @@ -274,7 +274,7 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
end do ! end of k = 1, nahpart
if (allocated(tempa)) deallocate(tempa)
if (allocated(tempc)) deallocate(tempc)
!$omp end signle
!$omp end single
return
end subroutine m_kern_max
!!*****
Expand Down Expand Up @@ -398,12 +398,12 @@ subroutine m_kern_min(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: b(lenb)
real(double) :: c(lenc)
! dimension declarations
integer :: ibaddr(mx_part)
integer :: ib_nd_acc(mx_part)
integer :: nbnab(mx_part)
integer :: ibpart(mx_part*mx_absb)
integer :: ibseq(mx_part*mx_absb)
integer :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb)
integer :: k, k_in_part, k_in_halo, nbkbeg, j, jpart, jseq
Expand Down
25 changes: 12 additions & 13 deletions src/multiply_kernel_ompDoii.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -168,12 +168,12 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: c(lenc)
integer, optional :: debug
! Remote indices
integer(integ) :: ib_nd_acc(mx_part)
integer(integ) :: ibaddr(mx_part)
integer(integ) :: nbnab(mx_part)
integer(integ) :: ibpart(mx_part*mx_absb)
integer(integ) :: ibseq(mx_part*mx_absb)
integer(integ) :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb) ! Automatic array
integer :: nbkbeg, k, k_in_part, k_in_halo, j, jpart, jseq
Expand Down Expand Up @@ -250,7 +250,6 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
end do ! End of j = 1, nbnab
end do ! End of i = 1, at%n_hnab
end do ! End of k = 1, nahpart
!$omp end parallel
return
end subroutine m_kern_max
!!*****
Expand Down Expand Up @@ -380,12 +379,12 @@ subroutine m_kern_min(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: b(lenb)
real(double) :: c(lenc)
! dimension declarations
integer :: ibaddr(mx_part)
integer :: ib_nd_acc(mx_part)
integer :: nbnab(mx_part)
integer :: ibpart(mx_part*mx_absb)
integer :: ibseq(mx_part*mx_absb)
integer :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb)
integer :: k, k_in_part, k_in_halo, nbkbeg, j, jpart, jseq
Expand Down
24 changes: 12 additions & 12 deletions src/multiply_kernel_ompDoik.f90
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Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -168,12 +168,12 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: c(lenc)
integer, optional :: debug
! Remote indices
integer(integ) :: ib_nd_acc(mx_part)
integer(integ) :: ibaddr(mx_part)
integer(integ) :: nbnab(mx_part)
integer(integ) :: ibpart(mx_part*mx_absb)
integer(integ) :: ibseq(mx_part*mx_absb)
integer(integ) :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb) ! Automatic array
integer :: nbkbeg, k, k_in_part, k_in_halo, j, jpart, jseq
Expand Down Expand Up @@ -380,12 +380,12 @@ subroutine m_kern_min(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: b(lenb)
real(double) :: c(lenc)
! dimension declarations
integer :: ibaddr(mx_part)
integer :: ib_nd_acc(mx_part)
integer :: nbnab(mx_part)
integer :: ibpart(mx_part*mx_absb)
integer :: ibseq(mx_part*mx_absb)
integer :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb)
integer :: k, k_in_part, k_in_halo, nbkbeg, j, jpart, jseq
Expand Down
42 changes: 12 additions & 30 deletions src/multiply_kernel_ompDoji.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -168,12 +168,12 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: c(lenc)
integer, optional :: debug
! Remote indices
integer(integ) :: ib_nd_acc(mx_part)
integer(integ) :: ibaddr(mx_part)
integer(integ) :: nbnab(mx_part)
integer(integ) :: ibpart(mx_part*mx_absb)
integer(integ) :: ibseq(mx_part*mx_absb)
integer(integ) :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb) ! Automatic array
integer :: nbkbeg, k, k_in_part, k_in_halo, j, jpart, jseq
Expand All @@ -184,14 +184,6 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
! OpenMP required indexing variables
integer :: nd1_1st(at%mx_halo), nd2_1st(mx_absb)

!$omp parallel default(none) &
!$omp shared(kpart, ibaddr, ib_nd_acc, nbnab, ibpart, ibseq, &
!$omp k_off, bndim2, mx_absb, mx_part, at, ahalo, chalo, &
!$omp a, b, c) &
!$omp private(i, j, k, j_in_halo, k_in_halo, k_in_part, nbkbeg, &
!$omp nb_nd_kbeg, nd1, nd2, nd3, jpart, jseq, jbnab2ch, &
!$omp nabeg, nbbeg, ncbeg, i_in_prim, icad, naaddr, &
!$omp nbaddr, ncaddr, n1, n2, n3, nd1_1st, nd2_1st)
! Loop over atoms k in current A-halo partn
do k = 1, ahalo%nh_part(kpart)
k_in_halo = ahalo%j_beg(kpart) + k - 1
Expand Down Expand Up @@ -259,7 +251,6 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
!$omp end do
end do ! End of i = 1, at%n_hnab
end do ! End of k = 1, nahpart
!$omp end parallel
return
end subroutine m_kern_max
!!*****
Expand Down Expand Up @@ -389,12 +380,12 @@ subroutine m_kern_min(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: b(lenb)
real(double) :: c(lenc)
! dimension declarations
integer :: ibaddr(mx_part)
integer :: ib_nd_acc(mx_part)
integer :: nbnab(mx_part)
integer :: ibpart(mx_part*mx_absb)
integer :: ibseq(mx_part*mx_absb)
integer :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb)
integer :: k, k_in_part, k_in_halo, nbkbeg, j, jpart, jseq
Expand All @@ -405,14 +396,6 @@ subroutine m_kern_min(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
! For OpenMP
integer :: nd1_1st(at%mx_halo), nd2_1st(mx_absb)

!$omp parallel default(none) &
!$omp shared(kpart, ibaddr, ib_nd_acc, nbnab, ibpart, ibseq, &
!$omp k_off, bndim2, mx_absb, mx_part, at, ahalo, chalo, &
!$omp a, b, c) &
!$omp private(j_in_halo, k_in_halo, k_in_part, nbkbeg, &
!$omp nb_nd_kbeg, nd1, nd2, nd3, i, j, k, jpart, jseq, &
!$omp jbnab2ch, icad, nabeg, nbbeg, ncbeg, naaddr, nbaddr, &
!$omp ncaddr, n1, n2, n3, i_in_prim, nd1_1st, nd2_1st)
! Loop over atoms k in current A-halo partn
do k = 1, ahalo%nh_part(kpart)
k_in_halo = ahalo%j_beg(kpart) + k - 1
Expand Down Expand Up @@ -472,7 +455,6 @@ subroutine m_kern_min(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
end do
!$omp end do
end do
!$omp end parallel
return
end subroutine m_kern_min
!!*****
Expand Down
24 changes: 12 additions & 12 deletions src/multiply_kernel_ompDojk.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -168,12 +168,12 @@ subroutine m_kern_max(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: c(lenc)
integer, optional :: debug
! Remote indices
integer(integ) :: ib_nd_acc(mx_part)
integer(integ) :: ibaddr(mx_part)
integer(integ) :: nbnab(mx_part)
integer(integ) :: ibpart(mx_part*mx_absb)
integer(integ) :: ibseq(mx_part*mx_absb)
integer(integ) :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb) ! Automatic array
integer :: nbkbeg, k, k_in_part, k_in_halo, j, jpart, jseq
Expand Down Expand Up @@ -380,12 +380,12 @@ subroutine m_kern_min(k_off, kpart, ib_nd_acc, ibaddr, nbnab, &
real(double) :: b(lenb)
real(double) :: c(lenc)
! dimension declarations
integer :: ibaddr(mx_part)
integer :: ib_nd_acc(mx_part)
integer :: nbnab(mx_part)
integer :: ibpart(mx_part*mx_absb)
integer :: ibseq(mx_part*mx_absb)
integer :: bndim2(mx_part*mx_absb)
integer(integ), intent(in) :: ib_nd_acc(:)
integer(integ), intent(in) :: ibaddr(:)
integer(integ), intent(in) :: nbnab(:)
integer(integ), intent(in) :: ibpart(:)
integer(integ), intent(in) :: ibseq(:)
integer(integ), intent(in) :: bndim2(:)
! Local variables
integer :: jbnab2ch(mx_absb)
integer :: k, k_in_part, k_in_halo, nbkbeg, j, jpart, jseq
Expand Down
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