mirror of
https://github.com/LCPQ/quantum_package
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137 lines
3.3 KiB
Fortran
137 lines
3.3 KiB
Fortran
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program bench_maps
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implicit none
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BEGIN_DOC
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! Performs timing benchmarks on integral access
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END_DOC
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integer :: i,j,k,l
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integer*8 :: ii,jj
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double precision :: r, cpu
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integer*8 :: cpu0, cpu1, count_rate, count_max
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PROVIDE mo_bielec_integrals_in_map
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print *, mo_tot_num, 'MOs'
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! Time random function
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call system_clock(cpu0, count_rate, count_max)
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do ii=1,100000000_8
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call random_number(r)
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i = int(r*mo_tot_num)+1
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call random_number(r)
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j = int(r*mo_tot_num)+1
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call random_number(r)
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k = int(r*mo_tot_num)+1
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call random_number(r)
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l = int(r*mo_tot_num)+1
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enddo
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call system_clock(cpu1, count_rate, count_max)
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cpu = (cpu1-cpu0)/count_rate
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print *, 'Random function : ', cpu/dble(ii)
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call system_clock(cpu0, count_rate, count_max)
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do ii=1,100000000_8
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call random_number(r)
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i = int(r*mo_tot_num)+1
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call random_number(r)
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j = int(r*mo_tot_num)+1
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call random_number(r)
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k = int(r*mo_tot_num)+1
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call random_number(r)
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l = int(r*mo_tot_num)+1
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call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
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enddo
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call system_clock(cpu1, count_rate, count_max)
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cpu = -cpu + (cpu1 - cpu0)/count_rate
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print *, 'Random access : ', cpu/dble(ii)
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ii=0_8
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call system_clock(cpu0, count_rate, count_max)
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do jj=1,10
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do l=1,mo_tot_num
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do k=1,mo_tot_num
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do j=1,mo_tot_num
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do i=1,mo_tot_num
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ii += 1
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call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
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enddo
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enddo
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enddo
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enddo
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enddo
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call system_clock(cpu1, count_rate, count_max)
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cpu = (cpu1 - cpu0)/count_rate
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print *, 'loop ijkl : ', cpu/dble(ii)
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ii=0
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call system_clock(cpu0, count_rate, count_max)
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do jj=1,10
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do l=1,mo_tot_num
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do j=1,mo_tot_num
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do k=1,mo_tot_num
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do i=1,mo_tot_num
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ii += 1
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call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
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enddo
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enddo
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enddo
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enddo
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enddo
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call system_clock(cpu1, count_rate, count_max)
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cpu = (cpu1 - cpu0)/count_rate
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print *, 'loop ikjl : ', cpu/dble(ii)
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ii=0
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call system_clock(cpu0, count_rate, count_max)
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do jj=1,10
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do k=1,mo_tot_num
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do l=1,mo_tot_num
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do j=1,mo_tot_num
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do i=1,mo_tot_num
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ii += 1
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call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
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enddo
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enddo
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enddo
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enddo
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enddo
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call system_clock(cpu1, count_rate, count_max)
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cpu = (cpu1 - cpu0)/count_rate
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print *, 'loop ijlk : ', cpu/dble(ii)
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ii=0
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call system_clock(cpu0, count_rate, count_max)
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do jj=1,10
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do i=1,mo_tot_num
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do j=1,mo_tot_num
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do k=1,mo_tot_num
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do l=1,mo_tot_num
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ii += 1
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call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
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enddo
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enddo
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enddo
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enddo
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enddo
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call system_clock(cpu1, count_rate, count_max)
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cpu = (cpu1 - cpu0)/count_rate
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print *, 'loop lkji : ', cpu/dble(ii)
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ii=0
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call system_clock(cpu0, count_rate, count_max)
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do jj=1,10
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do j=1,mo_tot_num
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do i=1,mo_tot_num
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do k=1,mo_tot_num
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do l=1,mo_tot_num
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ii += 1
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call get_mo_bielec_integral(i,j,k,l,mo_integrals_map)
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enddo
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enddo
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enddo
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enddo
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enddo
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call system_clock(cpu1, count_rate, count_max)
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cpu = (cpu1 - cpu0)/count_rate
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print *, 'loop lkij : ', cpu/dble(ii)
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end
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