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53 lines
2.2 KiB
Fortran
53 lines
2.2 KiB
Fortran
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module gpu_module
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use iso_c_binding
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implicit none
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interface
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subroutine compute_r2_space_chol_gpu(nO,nV,cholesky_mo_num, &
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t1,tau,cc_space_v_vo_chol,cc_space_v_vv_chol, r2) bind(C)
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import c_int, c_double
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integer(c_int), value :: nO, nV, cholesky_mo_num
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real(c_double), intent(in) :: t1(nO,nV)
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real(c_double), intent(in) :: tau(nO,nO,nV,nV)
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real(c_double), intent(in) :: cc_space_v_vo_chol(cholesky_mo_num,nV,nO)
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real(c_double), intent(in) :: cc_space_v_vv_chol(cholesky_mo_num,nV,nV)
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real(c_double), intent(out) :: r2(nO,nO,nV,nV)
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end subroutine
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subroutine gemm0(nO, nV, cholesky_mo_num, cc_space_v_vo_chol, t1, tmp_cc) bind(C, name="gemm0")
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import c_int, c_double
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integer(c_int), value :: nO, nV, cholesky_mo_num
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real(c_double) :: cc_space_v_vo_chol(cholesky_mo_num,nV,nO)
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real(c_double) :: t1(nO,nV)
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real(c_double) :: tmp_cc(cholesky_mo_num,nV,nV)
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end subroutine gemm0
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subroutine gemm1(iblock, nV, cholesky_mo_num, tmp_cc, cc_space_v_vv_chol_, tmpB1) bind(C, name="gemm1")
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import c_int, c_double
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integer(c_int), value :: iblock, nV, cholesky_mo_num
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real(c_double) :: tmp_cc(cholesky_mo_num,nV,nV)
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real(c_double) :: cc_space_v_vv_chol_(cholesky_mo_num,nV)
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real(c_double) :: tmpB1(nV,16,nV)
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end subroutine gemm1
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subroutine gemm2(iblock, nV, cholesky_mo_num, tmp_cc2, cc_space_v_vv_chol, tmpB1) bind(C, name="gemm2")
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import c_int, c_double
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integer(c_int), value :: iblock, nV, cholesky_mo_num
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real(c_double) :: tmp_cc2(cholesky_mo_num,nV)
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real(c_double) :: cc_space_v_vv_chol(cholesky_mo_num,nV,nV)
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real(c_double) :: tmpB1(nV,16,nV)
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end subroutine gemm2
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subroutine gemm3(iblock, nO, nV, gam, tau, B1, r2) bind(C, name="gemm3")
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import c_int, c_double
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integer(c_int), value :: iblock, nO, nV, gam
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real(c_double) :: tau(nO,nO,nV,nV)
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real(c_double) :: B1(nV,nV,*)
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real(c_double) :: r2(nO,nO,nV,nV)
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end subroutine gemm3
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end interface
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end module
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