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