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CP2K 2.4 (Revision 12889)
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Classes | |
| struct | fft_scratch_sizes |
| struct | fft_scratch_type |
| struct | fft_scratch_pool_type |
| interface | fft3d |
Functions | |
| subroutine, public | init_fft (fftlib, alltoall, fftsg_sizes, pool_limit, wisdom_file, plan_style, error) |
| subroutine, public | finalize_fft (para_env, error) |
| does whatever is needed to finalize the current fft setup | |
| subroutine, public | fft_radix_operations (radix_in, radix_out, operation) |
| Determine the allowed lengths of FFT's '''. | |
| subroutine | fft3d_s (fsign, n, zin, zout, scale, status, debug) |
| Calls the 3D-FFT function from the initialized library. | |
| subroutine | fft3d_ps (fsign, n, cin, gin, gs_group, rs_group, yzp, nyzray, bo, scale, status, debug) |
| subroutine | fft3d_pb (fsign, n, zin, gin, group, bo, scale, status, debug) |
| subroutine | x_to_yz (sb, group, my_pos, p2p, yzp, nray, bo, tb, fft_scratch, error) |
| subroutine | yz_to_x (tb, group, my_pos, p2p, yzp, nray, bo, sb, fft_scratch, error) |
| subroutine | yz_to_xz (sb, group, dims, my_pos, p2p, yzp, nray, bo, tb, fft_scratch, error) |
| subroutine | xz_to_yz (sb, group, dims, my_pos, p2p, yzp, nray, bo, tb, fft_scratch, error) |
| subroutine | cube_transpose_1 (cin, group, boin, boout, sout, fft_scratch, error) |
| subroutine | cube_transpose_2 (cin, group, boin, boout, sout, fft_scratch, error) |
| subroutine | cube_transpose_3 (cin, group, boin, boout, sout, fft_scratch, error) |
| subroutine | cube_transpose_4 (cin, group, boin, boout, sout, fft_scratch, error) |
| subroutine | cube_transpose_5 (cin, group, boin, boout, sout, fft_scratch, error) |
| subroutine | cube_transpose_6 (cin, group, boin, boout, sout, fft_scratch, error) |
| subroutine | init_fft_scratch_pool (error) |
| subroutine | deallocate_fft_scratch_type (fft_scratch, error) |
| subroutine | release_fft_scratch_pool (error) |
| subroutine | resize_fft_scratch_pool (error) |
| subroutine | get_fft_scratch (fft_scratch, tf_type, n, fft_sizes, error) |
| subroutine | release_fft_scratch (fft_scratch, error) |
| subroutine | sparse_alltoall (rs, scount, sdispl, rq, rcount, rdispl, group) |
| subroutine | is_equal (fft_size_1, fft_size_2, equal) |
| test data structures for equality. It is assumed that if they are different for one mpi task they are different for all (] | |
Variables | |
| CHARACTER(len=*), parameter, private | moduleN = 'fft_tools' |
| INTEGER, save | init_fft_pool = 0 |
| INTEGER, save | tick_fft_pool = 0 |
| INTEGER, save | fft_pool_scratch_limit = 15 |
| TYPE(fft_scratch_pool_type), pointer, save | fft_scratch_first |
| INTEGER, parameter, public | FWFFT = +1 |
| INTEGER, parameter, public | BWFFT = -1 |
| INTEGER, parameter, public | FFT_RADIX_CLOSEST = 493 |
| INTEGER, parameter, public | FFT_RADIX_NEXT = 494 |
| INTEGER, parameter, public | FFT_RADIX_ALLOWED = 495 |
| INTEGER, parameter, public | FFT_RADIX_DISALLOWED = 496 |
| INTEGER, parameter, public | FFT_RADIX_NEXT_ODD = 497 |
| REAL(KIND=dp), parameter | ratio_sparse_alltoall = 0.5_dp |
| INTEGER, save | fft_type = 0 |
| LOGICAL, save | alltoall_sgl = .FALSE. |
| LOGICAL, save | use_fftsg_sizes = .TRUE. |
| INTEGER, save | fft_plan_style = 1 |
| subroutine fft_tools::cube_transpose_1 | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | cin, |
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boin, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boout, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(out) | sout, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 1972 of file fft_tools.f90.
References timings::timeset().
Referenced by fft3d_pb(), and fft3d_ps().
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Here is the caller graph for this function:| subroutine fft_tools::cube_transpose_2 | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | cin, |
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boin, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boout, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(out) | sout, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 2059 of file fft_tools.f90.
References timings::timeset().
Referenced by fft3d_pb(), and fft3d_ps().
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Here is the caller graph for this function:| subroutine fft_tools::cube_transpose_3 | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | cin, |
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boin, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boout, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(out) | sout, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 2144 of file fft_tools.f90.
References timings::timeset().
Referenced by fft3d_pb().
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Here is the caller graph for this function:| subroutine fft_tools::cube_transpose_4 | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | cin, |
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boin, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boout, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(out) | sout, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 2246 of file fft_tools.f90.
References timings::timeset().
Referenced by fft3d_pb().
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Here is the caller graph for this function:| subroutine fft_tools::cube_transpose_5 | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | cin, |
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boin, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boout, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(out) | sout, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 2344 of file fft_tools.f90.
References timings::timeset().
Referenced by fft3d_pb().
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Here is the caller graph for this function:| subroutine fft_tools::cube_transpose_6 | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | cin, |
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boin, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | boout, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(out) | sout, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 2437 of file fft_tools.f90.
References timings::timeset().
Referenced by fft3d_pb().
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Here is the caller graph for this function:| subroutine fft_tools::deallocate_fft_scratch_type | ( | TYPE(fft_scratch_type),intent(inout) | fft_scratch, |
| TYPE(cp_error_type),intent(inout) | error | ||
| ) | [private] |
Definition at line 2593 of file fft_tools.f90.
References fft_destroy_plan(), message_passing::mp_comm_free(), and message_passing::mp_comm_null.
Referenced by release_fft_scratch_pool(), and resize_fft_scratch_pool().
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Here is the caller graph for this function:| subroutine fft_tools::fft3d_pb | ( | INTEGER,intent(in) | fsign, |
| INTEGER,dimension(3),intent(in) | n, | ||
| COMPLEX(KIND=dp),dimension(:, :, :),intent(inout) | zin, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(inout) | gin, | ||
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(:, :, 0:, :),intent(in) | bo, | ||
| REAL(KIND=dp),intent(in),optional | scale, | ||
| INTEGER,intent(out),optional | status, | ||
| LOGICAL,intent(in),optional | debug | ||
| ) | [private] |
Definition at line 942 of file fft_tools.f90.
References BWFFT, cube_transpose_1(), cube_transpose_2(), cube_transpose_3(), cube_transpose_4(), cube_transpose_5(), cube_transpose_6(), fft_1dm(), FWFFT, get_fft_scratch(), message_passing::mp_cart_rank(), release_fft_scratch(), and timings::timeset().
Here is the call graph for this function:| subroutine fft_tools::fft3d_ps | ( | INTEGER,intent(in) | fsign, |
| INTEGER,dimension(:),intent(in) | n, | ||
| COMPLEX(KIND=dp),dimension(:, :, :),intent(inout) | cin, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(inout) | gin, | ||
| INTEGER,intent(in) | gs_group, | ||
| INTEGER,intent(in) | rs_group, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | yzp, | ||
| INTEGER,dimension(0:),intent(in) | nyzray, | ||
| INTEGER,dimension(:, :, 0:, :),intent(in) | bo, | ||
| REAL(KIND=dp),intent(in),optional | scale, | ||
| INTEGER,intent(out),optional | status, | ||
| LOGICAL,intent(in),optional | debug | ||
| ) | [private] |
Definition at line 474 of file fft_tools.f90.
References BWFFT, cube_transpose_1(), cube_transpose_2(), fft_1dm(), FWFFT, get_fft_scratch(), message_passing::mp_comm_compare(), message_passing::mp_rank_compare(), release_fft_scratch(), timings::timeset(), x_to_yz(), xz_to_yz(), yz_to_x(), and yz_to_xz().
Here is the call graph for this function:| subroutine fft_tools::fft3d_s | ( | INTEGER,intent(in) | fsign, |
| INTEGER,dimension(:),intent(inout) | n, | ||
| COMPLEX(KIND=dp),dimension(:, :, :),intent(inout) | zin, | ||
| COMPLEX(KIND=dp),dimension(:, :, :),intent(inout),optional,target | zout, | ||
| REAL(KIND=dp),intent(in),optional | scale, | ||
| INTEGER,intent(out),optional | status, | ||
| LOGICAL,intent(in),optional | debug | ||
| ) | [private] |
Calls the 3D-FFT function from the initialized library.
Definition at line 357 of file fft_tools.f90.
References fft_3d(), FWFFT, get_fft_scratch(), release_fft_scratch(), and timings::timeset().
Here is the call graph for this function:| subroutine,public fft_tools::fft_radix_operations | ( | INTEGER,intent(in) | radix_in, |
| INTEGER,intent(out) | radix_out, | ||
| INTEGER,intent(in) | operation | ||
| ) |
Determine the allowed lengths of FFT's '''.
Definition at line 264 of file fft_tools.f90.
References fft_get_lengths(), FFT_RADIX_ALLOWED, FFT_RADIX_CLOSEST, FFT_RADIX_DISALLOWED, FFT_RADIX_NEXT, FFT_RADIX_NEXT_ODD, fft_type, and use_fftsg_sizes.
Here is the call graph for this function:| subroutine,public fft_tools::finalize_fft | ( | TYPE(cp_para_env_type),pointer | para_env, |
| TYPE(cp_error_type),intent(inout) | error | ||
| ) |
does whatever is needed to finalize the current fft setup
Definition at line 229 of file fft_tools.f90.
References fft_type, fftw_export_wisdom_to_file(), cp_files::get_unit_number(), and release_fft_scratch_pool().
Here is the call graph for this function:| subroutine fft_tools::get_fft_scratch | ( | TYPE(fft_scratch_type),pointer | fft_scratch, |
| INTEGER,intent(in) | tf_type, | ||
| INTEGER,dimension(:),intent(in) | n, | ||
| TYPE(fft_scratch_sizes),intent(in),optional | fft_sizes, | ||
| TYPE(cp_error_type),intent(inout) | error | ||
| ) | [private] |
Definition at line 2886 of file fft_tools.f90.
References alltoall_sgl, BWFFT, fft_create_plan_1dm(), fft_create_plan_3d(), fft_plan_style, fft_scratch_first, fft_type, FWFFT, is_equal(), message_passing::mp_cart_coords(), message_passing::mp_cart_rank(), message_passing::mp_cart_sub(), message_passing::mp_comm_null, resize_fft_scratch_pool(), tick_fft_pool, and timings::timeset().
Referenced by fft3d_pb(), fft3d_ps(), and fft3d_s().
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Here is the caller graph for this function:| subroutine,public fft_tools::init_fft | ( | CHARACTER(LEN=*),intent(in) | fftlib, |
| LOGICAL,intent(in) | alltoall, | ||
| LOGICAL,intent(in) | fftsg_sizes, | ||
| INTEGER,intent(in) | pool_limit, | ||
| CHARACTER(LEN=*),intent(in) | wisdom_file, | ||
| INTEGER,intent(in) | plan_style, | ||
| TYPE(cp_error_type),intent(inout) | error | ||
| ) |
Definition at line 161 of file fft_tools.f90.
References alltoall_sgl, error, fft_plan_style, fft_pool_scratch_limit, fft_type, fftw_import_wisdom_from_file(), cp_files::get_unit_number(), init_fft_scratch_pool(), release_fft_scratch_pool(), and use_fftsg_sizes.
Here is the call graph for this function:| subroutine fft_tools::init_fft_scratch_pool | ( | TYPE(cp_error_type),intent(inout) | error | ) | [private] |
Definition at line 2525 of file fft_tools.f90.
References fft_scratch_first, init_fft_pool, and release_fft_scratch_pool().
Referenced by init_fft().
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Here is the caller graph for this function:| subroutine fft_tools::is_equal | ( | TYPE(fft_scratch_sizes) | fft_size_1, |
| TYPE(fft_scratch_sizes) | fft_size_2, | ||
| LOGICAL | equal | ||
| ) | [private] |
test data structures for equality. It is assumed that if they are different for one mpi task they are different for all (]
Definition at line 3402 of file fft_tools.f90.
Referenced by get_fft_scratch().
Here is the caller graph for this function:| subroutine fft_tools::release_fft_scratch | ( | TYPE(fft_scratch_type),pointer | fft_scratch, |
| TYPE(cp_error_type),intent(inout) | error | ||
| ) | [private] |
Definition at line 3317 of file fft_tools.f90.
References fft_scratch_first.
Referenced by fft3d_pb(), fft3d_ps(), and fft3d_s().
Here is the caller graph for this function:| subroutine fft_tools::release_fft_scratch_pool | ( | TYPE(cp_error_type),intent(inout) | error | ) | [private] |
Definition at line 2777 of file fft_tools.f90.
References deallocate_fft_scratch_type(), fft_scratch_first, and init_fft_pool.
Referenced by finalize_fft(), init_fft(), and init_fft_scratch_pool().
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Here is the caller graph for this function:| subroutine fft_tools::resize_fft_scratch_pool | ( | TYPE(cp_error_type),intent(inout) | error | ) | [private] |
Definition at line 2815 of file fft_tools.f90.
References deallocate_fft_scratch_type(), fft_pool_scratch_limit, and fft_scratch_first.
Referenced by get_fft_scratch().
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Here is the caller graph for this function:| subroutine fft_tools::sparse_alltoall | ( | COMPLEX(KIND=dp),dimension(:),pointer | rs, |
| INTEGER,dimension(:),pointer | scount, | ||
| INTEGER,dimension(:),pointer | sdispl, | ||
| COMPLEX(KIND=dp),dimension(:),pointer | rq, | ||
| INTEGER,dimension(:),pointer | rcount, | ||
| INTEGER,dimension(:),pointer | rdispl, | ||
| INTEGER,intent(in) | group | ||
| ) | [private] |
Definition at line 3352 of file fft_tools.f90.
References message_passing::mp_sync().
Referenced by xz_to_yz(), and yz_to_xz().
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Here is the caller graph for this function:| subroutine fft_tools::x_to_yz | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | sb, |
| INTEGER,intent(in) | group, | ||
| INTEGER,intent(in) | my_pos, | ||
| INTEGER,dimension(0:),intent(in) | p2p, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | yzp, | ||
| INTEGER,dimension(0:),intent(in) | nray, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | bo, | ||
| COMPLEX(KIND=dp),dimension(:, :, :),intent(inout) | tb, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 1369 of file fft_tools.f90.
References alltoall_sgl, and timings::timeset().
Referenced by fft3d_ps().
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Here is the caller graph for this function:| subroutine fft_tools::xz_to_yz | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | sb, |
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(2),intent(in) | dims, | ||
| INTEGER,intent(in) | my_pos, | ||
| INTEGER,dimension(0:),intent(in) | p2p, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | yzp, | ||
| INTEGER,dimension(0:),intent(in) | nray, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | bo, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(inout) | tb, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 1780 of file fft_tools.f90.
References alltoall_sgl, ratio_sparse_alltoall, sparse_alltoall(), and timings::timeset().
Referenced by fft3d_ps().
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Here is the caller graph for this function:| subroutine fft_tools::yz_to_x | ( | COMPLEX(KIND=dp),dimension(:, :, :),intent(in) | tb, |
| INTEGER,intent(in) | group, | ||
| INTEGER,intent(in) | my_pos, | ||
| INTEGER,dimension(0:),intent(in) | p2p, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | yzp, | ||
| INTEGER,dimension(0:),intent(in) | nray, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | bo, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(inout) | sb, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 1473 of file fft_tools.f90.
References alltoall_sgl, and timings::timeset().
Referenced by fft3d_ps().
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Here is the caller graph for this function:| subroutine fft_tools::yz_to_xz | ( | COMPLEX(KIND=dp),dimension(:, :),intent(in) | sb, |
| INTEGER,intent(in) | group, | ||
| INTEGER,dimension(2),intent(in) | dims, | ||
| INTEGER,intent(in) | my_pos, | ||
| INTEGER,dimension(0:),intent(in) | p2p, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | yzp, | ||
| INTEGER,dimension(0:),intent(in) | nray, | ||
| INTEGER,dimension(:, :, 0:),intent(in) | bo, | ||
| COMPLEX(KIND=dp),dimension(:, :),intent(inout) | tb, | ||
| TYPE(fft_scratch_type),pointer | fft_scratch, | ||
| TYPE(cp_error_type) | error | ||
| ) | [private] |
Definition at line 1578 of file fft_tools.f90.
References alltoall_sgl, ratio_sparse_alltoall, sparse_alltoall(), and timings::timeset().
Referenced by fft3d_ps().
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Here is the caller graph for this function:| LOGICAL,save fft_tools::alltoall_sgl = .FALSE. |
Definition at line 146 of file fft_tools.f90.
Referenced by get_fft_scratch(), init_fft(), x_to_yz(), xz_to_yz(), yz_to_x(), and yz_to_xz().
| INTEGER,parameter,public fft_tools::BWFFT = -1 |
Definition at line 137 of file fft_tools.f90.
Referenced by dgs::dg_get_patch_1(), dgs::dg_get_patch_2(), fft3d_pb(), fft3d_ps(), library_tests::fft_test(), pw_methods::fft_wrap_pw1(), pw_methods::fft_wrap_pw1pw2(), and get_fft_scratch().
| INTEGER,save fft_tools::fft_plan_style = 1 |
Definition at line 148 of file fft_tools.f90.
Referenced by get_fft_scratch(), and init_fft().
| INTEGER,save fft_tools::fft_pool_scratch_limit = 15 |
Definition at line 126 of file fft_tools.f90.
Referenced by init_fft(), and resize_fft_scratch_pool().
| INTEGER,parameter,public fft_tools::FFT_RADIX_ALLOWED = 495 |
Definition at line 139 of file fft_tools.f90.
Referenced by fft_radix_operations().
| INTEGER,parameter,public fft_tools::FFT_RADIX_CLOSEST = 493 |
Definition at line 138 of file fft_tools.f90.
Referenced by fft_radix_operations().
| INTEGER,parameter,public fft_tools::FFT_RADIX_DISALLOWED = 496 |
Definition at line 139 of file fft_tools.f90.
Referenced by fft_radix_operations().
| INTEGER,parameter,public fft_tools::FFT_RADIX_NEXT = 494 |
Definition at line 138 of file fft_tools.f90.
Referenced by fft_radix_operations(), pw_grid_info::pw_grid_find_n(), and pw_grid_info::pw_grid_n_for_fft().
| INTEGER,parameter,public fft_tools::FFT_RADIX_NEXT_ODD = 497 |
Definition at line 140 of file fft_tools.f90.
Referenced by fft_radix_operations().
| TYPE(fft_scratch_pool_type),pointer,save fft_tools::fft_scratch_first |
Definition at line 127 of file fft_tools.f90.
Referenced by get_fft_scratch(), init_fft_scratch_pool(), release_fft_scratch(), release_fft_scratch_pool(), and resize_fft_scratch_pool().
| INTEGER,save fft_tools::fft_type = 0 |
Definition at line 145 of file fft_tools.f90.
Referenced by fft_radix_operations(), finalize_fft(), get_fft_scratch(), and init_fft().
| INTEGER,parameter,public fft_tools::FWFFT = +1 |
Definition at line 137 of file fft_tools.f90.
Referenced by fft3d_pb(), fft3d_ps(), fft3d_s(), and get_fft_scratch().
| INTEGER,save fft_tools::init_fft_pool = 0 |
Definition at line 122 of file fft_tools.f90.
Referenced by init_fft_scratch_pool(), and release_fft_scratch_pool().
| CHARACTER(len=*),parameter,private fft_tools::moduleN = 'fft_tools' |
Definition at line 47 of file fft_tools.f90.
| REAL(KIND=dp),parameter fft_tools::ratio_sparse_alltoall = 0.5_dp |
Definition at line 142 of file fft_tools.f90.
Referenced by xz_to_yz(), and yz_to_xz().
| INTEGER,save fft_tools::tick_fft_pool = 0 |
Definition at line 124 of file fft_tools.f90.
Referenced by get_fft_scratch().
| LOGICAL,save fft_tools::use_fftsg_sizes = .TRUE. |
Definition at line 147 of file fft_tools.f90.
Referenced by fft_radix_operations(), and init_fft().
1.7.3