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cleaned up testing code
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@oneilm
oneilm committed Mar 19, 2024
1 parent bff5d85 commit 96d6497
Showing 1 changed file with 6 additions and 278 deletions.
284 changes: 6 additions & 278 deletions test/Helmholtz/test_helmkernels_omp.f90
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Original file line number Diff line number Diff line change
Expand Up @@ -59,26 +59,24 @@ program helmkernels_omp_dr
end do
end do


! set the number of threads to test against
nthreads = 12

print *, 'number of sources = ', nsrc
print *, 'number of targets = ', ntarg
print *, 'vec param nd = ', nd



! for each of the below routines, run single threaded and
! multithreaded and compare the solutions, they should be identical,
! and compute the speedup factor
print *
print *
print *, '- - - - - - - testing h3ddirectcp - - - - - - -'

call setzero(pot, grad, hess, nd, ntarg)
call setzero(pot2, grad2, hess2, nd, ntarg)

!call prin2('zk = *', zk, 2)
!call prin2('sources = *', sources, 3*nd*nsrc)
!call prin2('charge = *', charge, 2*nd*nsrc)
!call prin2('targ = *', targ, 3*ntarg)


call omp_set_num_threads(1)
t0 = omp_get_wtime()
call h3ddirectcp(nd, zk, sources, charge, nsrc, targ, ntarg, pot, thresh)
Expand Down Expand Up @@ -116,12 +114,6 @@ program helmkernels_omp_dr
call setzero(pot, grad, hess, nd, ntarg)
call setzero(pot2, grad2, hess2, nd, ntarg)

!call prin2('zk = *', zk, 2)
!call prin2('sources = *', sources, 3*nd*nsrc)
!call prin2('charge = *', charge, 2*nd*nsrc)
!call prin2('targ = *', targ, 3*ntarg)


call omp_set_num_threads(1)
t0 = omp_get_wtime()
call h3ddirectcg(nd, zk, sources, charge, nsrc, targ, ntarg, pot, &
Expand Down Expand Up @@ -170,12 +162,6 @@ program helmkernels_omp_dr
call setzero(pot, grad, hess, nd, ntarg)
call setzero(pot2, grad2, hess2, nd, ntarg)

!call prin2('zk = *', zk, 2)
!call prin2('sources = *', sources, 3*nd*nsrc)
!call prin2('charge = *', charge, 2*nd*nsrc)
!call prin2('targ = *', targ, 3*ntarg)


call omp_set_num_threads(1)
t0 = omp_get_wtime()
call h3ddirectcp(nd, zk, sources, dipvec, nsrc, targ, ntarg, pot, thresh)
Expand Down Expand Up @@ -213,12 +199,6 @@ program helmkernels_omp_dr
call setzero(pot, grad, hess, nd, ntarg)
call setzero(pot2, grad2, hess2, nd, ntarg)

!call prin2('zk = *', zk, 2)
!call prin2('sources = *', sources, 3*nd*nsrc)
!call prin2('charge = *', charge, 2*nd*nsrc)
!call prin2('targ = *', targ, 3*ntarg)


call omp_set_num_threads(1)
t0 = omp_get_wtime()
call h3ddirectdg(nd, zk, sources, dipvec, nsrc, targ, ntarg, pot, &
Expand Down Expand Up @@ -266,12 +246,6 @@ program helmkernels_omp_dr
call setzero(pot, grad, hess, nd, ntarg)
call setzero(pot2, grad2, hess2, nd, ntarg)

!call prin2('zk = *', zk, 2)
!call prin2('sources = *', sources, 3*nd*nsrc)
!call prin2('charge = *', charge, 2*nd*nsrc)
!call prin2('targ = *', targ, 3*ntarg)


call omp_set_num_threads(1)
t0 = omp_get_wtime()
call h3ddirectcdp(nd, zk, sources, charge, dipvec, nsrc, targ, ntarg, &
Expand Down Expand Up @@ -311,12 +285,6 @@ program helmkernels_omp_dr
call setzero(pot, grad, hess, nd, ntarg)
call setzero(pot2, grad2, hess2, nd, ntarg)

!call prin2('zk = *', zk, 2)
!call prin2('sources = *', sources, 3*nd*nsrc)
!call prin2('charge = *', charge, 2*nd*nsrc)
!call prin2('targ = *', targ, 3*ntarg)


call omp_set_num_threads(1)
t0 = omp_get_wtime()
call h3ddirectcdg(nd, zk, sources, charge, dipvec, nsrc, targ, ntarg, pot, &
Expand Down Expand Up @@ -355,252 +323,12 @@ program helmkernels_omp_dr
print *, 'i = ', i, ' grad err = ', err
end do




! call setzero(pot,grad,hess,nd,nt)
! call h3ddirectcg(nd,zk,sources,charge,ns,ztarg,nt, &
! pot,grad,thresh)
! write(6,*) ' dir cp '
! do i = 1,nt
! write(6,*)pot(1,i)
! enddo
! write(6,*) ' analytic grad ', grad(1,icomp,1)
! egrad = abs( grad(1,icomp,1)- zfd)/abs(grad(1,icomp,1))
! write(6,*) ' egrad ', egrad
! v1 = grad(1,1,2)
! v2 = grad(1,1,3)
! zfd1 = (v1-v2)/(2*hh)
! v1 = grad(1,2,2)
! v2 = grad(1,2,3)
! zfd2 = (v1-v2)/(2*hh)
! v1 = grad(1,3,2)
! v2 = grad(1,3,3)
! zfd3 = (v1-v2)/(2*hh)
! write(6,*) ' FD deriv of p_x ', zfd1
! write(6,*) ' FD deriv of p_y ', zfd2
! write(6,*) ' FD deriv of p_z ', zfd3

! ! call setzero(pot,grad,hess,nd,nt)
! ! call h3ddirectch(nd,zk,sources,charge,ns,ztarg,nt,
! ! 1 pot,grad,hess,thresh)
! ! write(6,*) ' dir cp '
! ! do i = 1,nt
! ! write(6,*)pot(1,i)
! ! enddo
! ! write(6,*) ' analytic grad ', grad(1,icomp,1)
! ! egrad = abs( grad(1,icomp,1)- zfd)/abs(grad(1,icomp,1))
! ! write(6,*) ' egrad ', egrad
! ! if (icomp.eq.1) then
! ! write(6,*) ' dir pxx ', hess(1,1,1)
! ! write(6,*) ' dir pxy ', hess(1,4,1)
! ! write(6,*) ' dir pxz ', hess(1,5,1)
! ! exx = abs( hess(1,1,1)- zfd1)/abs(hess(1,1,1))
! ! exy = abs( hess(1,4,1)- zfd2)/abs(hess(1,4,1))
! ! exz = abs( hess(1,5,1)- zfd3)/abs(hess(1,5,1))
! ! write(6,*) ' exx ', exx
! ! write(6,*) ' exy ', exy
! ! write(6,*) ' exz ', exz
! ! else if (icomp.eq.2) then
! ! write(6,*) ' dir pxy ', hess(1,4,1)
! ! write(6,*) ' dir pyy ', hess(1,2,1)
! ! write(6,*) ' dir pyz ', hess(1,6,1)
! ! exy = abs( hess(1,4,1)- zfd1)/abs(hess(1,4,1))
! ! eyy = abs( hess(1,2,1)- zfd2)/abs(hess(1,2,1))
! ! eyz = abs( hess(1,6,1)- zfd3)/abs(hess(1,6,1))
! ! write(6,*) ' exy ', exy
! ! write(6,*) ' eyy ', eyy
! ! write(6,*) ' eyz ', eyz
! ! else if (icomp.eq.3) then
! ! write(6,*) ' dir pxz ', hess(1,4,1)
! ! write(6,*) ' dir pyz ', hess(1,6,1)
! ! write(6,*) ' dir pzz ', hess(1,3,1)
! ! exz = abs( hess(1,5,1)- zfd1)/abs(hess(1,5,1))
! ! eyz = abs( hess(1,6,1)- zfd2)/abs(hess(1,6,1))
! ! ezz = abs( hess(1,3,1)- zfd3)/abs(hess(1,3,1))
! ! write(6,*) ' exz ', exz
! ! write(6,*) ' eyz ', eyz
! ! write(6,*) ' ezz ', ezz
! ! endif


! write(6,*) ' directd tests -------------------------------'

! call setzero(pot,grad,hess,nd,nt)
! call h3ddirectdp(nd,zk,sources, &
! dipvec,ns,ztarg,nt,pot,thresh)
! write(6,*) ' dir cp '
! do i = 1,nt
! write(6,*)pot(1,i)
! enddo
! zfd = (pot(1,2) - pot(1,3))/(2*hh)
! write(6,*) ' FD deriv ', zfd
! call setzero(pot,grad,hess,nd,nt)
! call h3ddirectdg(nd,zk,sources, &
! dipvec,ns,ztarg,nt,pot,grad,thresh)
! write(6,*) ' dir cp '
! do i = 1,nt
! write(6,*)pot(1,i)
! enddo
! write(6,*) ' analytic grad ', grad(1,icomp,1)
! egrad = abs( grad(1,icomp,1)- zfd)/abs(grad(1,icomp,1))
! write(6,*) ' egrad ', egrad
! v1 = grad(1,1,2)
! v2 = grad(1,1,3)
! zfd1 = (v1-v2)/(2*hh)
! v1 = grad(1,2,2)
! v2 = grad(1,2,3)
! zfd2 = (v1-v2)/(2*hh)
! v1 = grad(1,3,2)
! v2 = grad(1,3,3)
! zfd3 = (v1-v2)/(2*hh)
! write(6,*) ' FD x deriv of p_x ', zfd1
! write(6,*) ' FD x deriv of p_y ', zfd2
! write(6,*) ' FD x deriv of p_z ', zfd3

! ! call setzero(pot,grad,hess,nd,nt)
! ! call h3ddirectdh(nd,zk,sources,
! ! 1 dipvec,ns,ztarg,nt,pot,grad,hess,thresh)
! ! write(6,*) ' dir cp '
! ! do i = 1,nt
! ! write(6,*)pot(1,i)
! ! enddo
! ! write(6,*) ' analytic grad ', grad(1,icomp,1)
! ! egrad = abs( grad(1,icomp,1)- zfd)/abs(grad(1,icomp,1))
! ! write(6,*) ' egrad ', egrad
! ! if (icomp.eq.1) then
! ! write(6,*) ' dir pxx ', hess(1,1,1)
! ! write(6,*) ' dir pxy ', hess(1,4,1)
! ! write(6,*) ' dir pxz ', hess(1,5,1)
! ! exx = abs( hess(1,1,1)- zfd1)/abs(hess(1,1,1))
! ! exy = abs( hess(1,4,1)- zfd2)/abs(hess(1,4,1))
! ! exz = abs( hess(1,5,1)- zfd3)/abs(hess(1,5,1))
! ! write(6,*) ' exx ', exx
! ! write(6,*) ' exy ', exy
! ! write(6,*) ' exz ', exz
! ! else if (icomp.eq.2) then
! ! write(6,*) ' dir pxy ', hess(1,4,1)
! ! write(6,*) ' dir pyy ', hess(1,2,1)
! ! write(6,*) ' dir pyz ', hess(1,6,1)
! ! exy = abs( hess(1,4,1)- zfd1)/abs(hess(1,4,1))
! ! eyy = abs( hess(1,2,1)- zfd2)/abs(hess(1,2,1))
! ! eyz = abs( hess(1,6,1)- zfd3)/abs(hess(1,6,1))
! ! write(6,*) ' exy ', exy
! ! write(6,*) ' eyy ', eyy
! ! write(6,*) ' eyz ', eyz
! ! else if (icomp.eq.3) then
! ! write(6,*) ' dir pxz ', hess(1,4,1)
! ! write(6,*) ' dir pyz ', hess(1,6,1)
! ! write(6,*) ' dir pzz ', hess(1,3,1)
! ! exz = abs( hess(1,5,1)- zfd1)/abs(hess(1,5,1))
! ! eyz = abs( hess(1,6,1)- zfd2)/abs(hess(1,6,1))
! ! ezz = abs( hess(1,3,1)- zfd3)/abs(hess(1,3,1))
! ! write(6,*) ' exz ', exz
! ! write(6,*) ' eyz ', eyz
! ! write(6,*) ' ezz ', ezz
! ! endif


! write(6,*) ' directcd tests -------------------------------'

! call setzero(pot,grad,hess,nd,nt)
! call h3ddirectcdp(nd,zk,sources,charge, &
! dipvec,ns,ztarg,nt,pot,thresh)
! write(6,*) ' dir cp '
! do i = 1,nt
! write(6,*)pot(1,i)
! enddo
! zfd = (pot(1,2) - pot(1,3))/(2*hh)
! write(6,*) ' FD deriv ', zfd
! call setzero(pot,grad,hess,nd,nt)
! call h3ddirectcdg(nd,zk,sources,charge, &
! dipvec,ns,ztarg,nt,pot,grad,thresh)
! write(6,*) ' dir cp '
! do i = 1,nt
! write(6,*)pot(1,i)
! enddo
! write(6,*) ' analytic grad ', grad(1,icomp,1)
! egrad = abs( grad(1,icomp,1)- zfd)/abs(grad(1,icomp,1))
! write(6,*) ' egrad ', egrad
! v1 = grad(1,1,2)
! v2 = grad(1,1,3)
! zfd1 = (v1-v2)/(2*hh)
! v1 = grad(1,2,2)
! v2 = grad(1,2,3)
! zfd2 = (v1-v2)/(2*hh)
! v1 = grad(1,3,2)
! v2 = grad(1,3,3)
! zfd3 = (v1-v2)/(2*hh)
! write(6,*) ' FD deriv of p_x ', zfd1
! write(6,*) ' FD deriv of p_y ', zfd2
! write(6,*) ' FD deriv of p_z ', zfd3


! ! call setzero(pot,grad,hess,nd,nt)
! ! call h3ddirectcdh(nd,zk,sources,charge,
! ! 1 dipvec,ns,ztarg,nt,pot,grad,hess,thresh)
! ! write(6,*) ' dir cp '
! ! do i = 1,nt
! ! write(6,*)pot(1,i)
! ! enddo
! ! write(6,*) ' analytic grad ', grad(1,icomp,1)
! ! egrad = abs( grad(1,icomp,1)- zfd)/abs(grad(1,icomp,1))
! ! write(6,*) ' egrad ', egrad
! ! if (icomp.eq.1) then
! ! write(6,*) ' dir pxx ', hess(1,1,1)
! ! write(6,*) ' dir pxy ', hess(1,4,1)
! ! write(6,*) ' dir pxz ', hess(1,5,1)
! ! exx = abs( hess(1,1,1)- zfd1)/abs(hess(1,1,1))
! ! exy = abs( hess(1,4,1)- zfd2)/abs(hess(1,4,1))
! ! exz = abs( hess(1,5,1)- zfd3)/abs(hess(1,5,1))
! ! write(6,*) ' exx ', exx
! ! write(6,*) ' exy ', exy
! ! write(6,*) ' exz ', exz
! ! else if (icomp.eq.2) then
! ! write(6,*) ' dir pxy ', hess(1,4,1)
! ! write(6,*) ' dir pyy ', hess(1,2,1)
! ! write(6,*) ' dir pyz ', hess(1,6,1)
! ! exy = abs( hess(1,4,1)- zfd1)/abs(hess(1,4,1))
! ! eyy = abs( hess(1,2,1)- zfd2)/abs(hess(1,2,1))
! ! eyz = abs( hess(1,6,1)- zfd3)/abs(hess(1,6,1))
! ! write(6,*) ' exy ', exy
! ! write(6,*) ' eyy ', eyy
! ! write(6,*) ' eyz ', eyz
! ! else if (icomp.eq.3) then
! ! write(6,*) ' dir pxz ', hess(1,4,1)
! ! write(6,*) ' dir pyz ', hess(1,6,1)
! ! write(6,*) ' dir pzz ', hess(1,3,1)
! ! exz = abs( hess(1,5,1)- zfd1)/abs(hess(1,5,1))
! ! eyz = abs( hess(1,6,1)- zfd2)/abs(hess(1,6,1))
! ! ezz = abs( hess(1,3,1)- zfd3)/abs(hess(1,3,1))
! ! write(6,*) ' exz ', exz
! ! write(6,*) ' eyz ', eyz
! ! write(6,*) ' ezz ', ezz
! ! endif

end program helmkernels_omp_dr





subroutine errl2(nd, n, x, y, errs)
implicit double precision (a-h,o-z)
double precision :: errs(nd)
double complex :: x(nd,n), y(nd,n)

do i = 1,nd
errs(i) = 0
do j = 1,n
errs(i) = errs(i) + abs(x(i,j)-y(i,j))
end do
errs(i) = sqrt(errs(i))
end do

return
end subroutine errl2





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