Octopus
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This module implements common operations on batches of mesh functions. More...
This module implements common operations on batches of mesh functions.
Data Types | |
interface | batch_add_with_map |
interface | batch_axpy |
batchified version of the BLAS axpy routine: \( y = a*x + y \) More... | |
interface | batch_copy_with_map |
interface | batch_get_points |
interface | batch_get_state |
interface | batch_mul |
interface | batch_scal |
scale a batch by a constant or vector \( y = a*x \) More... | |
interface | batch_set_points |
interface | batch_set_state |
There are several ways how to call batch_set_state and batch_get_state: More... | |
interface | batch_xpay |
batchified version of \( y = x + a*y \) More... | |
Functions/Subroutines | |
subroutine, public | batch_set_zero (this, np, async) |
fill all mesh functions of the batch with zero More... | |
subroutine | batch_get_points_accel (this, sp, ep, psi, ldpsi1, ldpsi2) |
GPU version of batch_get_points. More... | |
subroutine | batch_set_points_accel (this, sp, ep, psi, ldpsi1, ldpsi2) |
GPU version of batch_set_points. More... | |
integer pure function, public | batch_points_block_size () |
determine the device block size More... | |
subroutine | batch_add_with_map_cpu (np, map, xx, yy, zz) |
subroutine | batch_add_with_map_accel (np, map, xx, yy, zz) |
subroutine | batch_copy_with_map_cpu (np, map, xx, yy) |
subroutine | batch_copy_with_map_accel (np, map, xx, yy) |
subroutine, public | batch_split_complex (np, xx, yy, zz) |
extract the real and imaginary parts of a complex batch More... | |
subroutine | dbatch_axpy_const (np, aa, xx, yy) |
This routine applies a 'pair-wise' axpy operation to all functions of the batches xx and yy, where the same constant aa is used for all functions. More... | |
subroutine | dbatch_axpy_vec (np, aa, xx, yy, a_start, a_full) |
This routine applies an 'pair-wise' axpy operation to all functions of the batches xx and yy, where the constant aa(ist) is used for the mesh functions in the batch. More... | |
subroutine, public | dbatch_axpy_function (np, aa, xx, psi, nst) |
This routine performs a set of axpy operations for each function x of a batch (xx), and accumulate the result to y (psi in this case), a single function. More... | |
subroutine, public | dbatch_ax_function_py (np, aa, psi, yy) |
This routine performs a set of axpy operations adding the same function psi to all functions of a batch (yy),. More... | |
subroutine | dbatch_scal_const (np, aa, xx) |
scale all functions in a batch by constant aa More... | |
subroutine | dbatch_scal_vec (np, aa, xx, a_start, a_full) |
scale all functions in a batch by state dependent constant More... | |
subroutine | dbatch_xpay_vec (np, xx, aa, yy, a_start, a_full) |
calculate yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) for a batch More... | |
subroutine | dbatch_xpay_const (np, xx, aa, yy) |
calculate yy(ist) = xx(ist) + aa*yy(ist) for a batch More... | |
subroutine | dbatch_set_state1 (this, ist, np, psi) |
Write a single state with np points into a batch at position ist. More... | |
subroutine | dbatch_set_state2 (this, index, np, psi) |
Write a single state with np points into a batch at position defined by index. More... | |
subroutine | dbatch_set_state3 (this, ii, np, psi) |
Write a set of state with np points into a batch. More... | |
subroutine | dbatch_get_state1 (this, ist, np, psi) |
Write a get of state with np points from a batch. More... | |
subroutine | dbatch_get_state2 (this, index, np, psi) |
subroutine | dbatch_get_state3 (this, ii, np, psi) |
subroutine | dbatch_get_points (this, sp, ep, psi) |
copy a set of points into a mesh function More... | |
subroutine | dbatch_set_points (this, sp, ep, psi) |
copy a set of points into a mesh function More... | |
subroutine | dbatch_mul (np, ff, xx, yy) |
multiply all functions in a batch pointwise by a given mesh function ff More... | |
subroutine | dbatch_add_with_map (np, map, xx, yy, zz) |
subroutine | dbatch_copy_with_map (np, map, xx, yy) |
subroutine | zbatch_axpy_const (np, aa, xx, yy) |
This routine applies a 'pair-wise' axpy operation to all functions of the batches xx and yy, where the same constant aa is used for all functions. More... | |
subroutine | zbatch_axpy_vec (np, aa, xx, yy, a_start, a_full) |
This routine applies an 'pair-wise' axpy operation to all functions of the batches xx and yy, where the constant aa(ist) is used for the mesh functions in the batch. More... | |
subroutine, public | zbatch_axpy_function (np, aa, xx, psi, nst) |
This routine performs a set of axpy operations for each function x of a batch (xx), and accumulate the result to y (psi in this case), a single function. More... | |
subroutine, public | zbatch_ax_function_py (np, aa, psi, yy) |
This routine performs a set of axpy operations adding the same function psi to all functions of a batch (yy),. More... | |
subroutine | zbatch_scal_const (np, aa, xx) |
scale all functions in a batch by constant aa More... | |
subroutine | zbatch_scal_vec (np, aa, xx, a_start, a_full) |
scale all functions in a batch by state dependent constant More... | |
subroutine | zbatch_xpay_vec (np, xx, aa, yy, a_start, a_full) |
calculate yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) for a batch More... | |
subroutine | zbatch_xpay_const (np, xx, aa, yy) |
calculate yy(ist) = xx(ist) + aa*yy(ist) for a batch More... | |
subroutine | zbatch_set_state1 (this, ist, np, psi) |
Write a single state with np points into a batch at position ist. More... | |
subroutine | zbatch_set_state2 (this, index, np, psi) |
Write a single state with np points into a batch at position defined by index. More... | |
subroutine | zbatch_set_state3 (this, ii, np, psi) |
Write a set of state with np points into a batch. More... | |
subroutine | zbatch_get_state1 (this, ist, np, psi) |
Write a get of state with np points from a batch. More... | |
subroutine | zbatch_get_state2 (this, index, np, psi) |
subroutine | zbatch_get_state3 (this, ii, np, psi) |
subroutine | zbatch_get_points (this, sp, ep, psi) |
copy a set of points into a mesh function More... | |
subroutine | zbatch_set_points (this, sp, ep, psi) |
copy a set of points into a mesh function More... | |
subroutine | zbatch_mul (np, ff, xx, yy) |
multiply all functions in a batch pointwise by a given mesh function ff More... | |
subroutine | zbatch_add_with_map (np, map, xx, yy, zz) |
subroutine | zbatch_copy_with_map (np, map, xx, yy) |
subroutine, public batch_ops_oct_m::batch_set_zero | ( | class(batch_t), intent(inout) | this, |
integer, intent(in), optional | np, | ||
logical, intent(in), optional | async | ||
) |
fill all mesh functions of the batch with zero
[in] | np | number of mesh points to consider. By deafult, all points are set to zero, meaning that np = np_part. This allows to set the batch to zero only for points up to np |
Definition at line 239 of file batch_ops.F90.
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GPU version of batch_get_points.
[in] | this | the batch |
[in] | sp | starting point |
[in] | ep | end point |
[in,out] | psi | device buffer for mesh function |
[in] | ldpsi1 | number of states: stnst |
[in] | ldpsi2 | states dimensions: ddim |
Definition at line 315 of file batch_ops.F90.
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GPU version of batch_set_points.
[in,out] | this | the batch |
[in] | sp | starting point |
[in] | ep | end point |
[in] | psi | device buffer of mesh function |
[in] | ldpsi1 | number of states: stnst |
[in] | ldpsi2 | state dimensions ddim |
Definition at line 382 of file batch_ops.F90.
integer pure function, public batch_ops_oct_m::batch_points_block_size |
determine the device block size
Currently, this is just set to a constant.
Definition at line 451 of file batch_ops.F90.
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Definition at line 458 of file batch_ops.F90.
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Definition at line 486 of file batch_ops.F90.
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Definition at line 520 of file batch_ops.F90.
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Definition at line 547 of file batch_ops.F90.
subroutine, public batch_ops_oct_m::batch_split_complex | ( | integer, intent(in) | np, |
class(batch_t), intent(in) | xx, | ||
class(batch_t), intent(inout) | yy, | ||
class(batch_t), intent(inout) | zz | ||
) |
extract the real and imaginary parts of a complex batch
[in] | np | number of mesh points to consider |
[in] | xx | original batch (must be of type TYPE_CMPLX) |
[in,out] | yy | batch containing real part of xx (must be of type TYPE_FLOAT) |
[in,out] | zz | batch containing imaginary part of xx (must be of type TYPE_FLOAT) |
Definition at line 585 of file batch_ops.F90.
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This routine applies a 'pair-wise' axpy operation to all functions of the batches xx and yy, where the same constant aa is used for all functions.
[in] | np | number of points |
[in,out] | yy | yy(:,:) = aa*xx(:,:) + yy(:,:) |
Definition at line 690 of file batch_ops.F90.
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This routine applies an 'pair-wise' axpy operation to all functions of the batches xx and yy, where the constant aa(ist) is used for the mesh functions in the batch.
[in] | np | number of points |
[in] | aa | array of multipliers |
[in,out] | yy | y(ist,:) = aa(ist) * x(ist,:) + y(ist,:) |
[in] | a_start | first state to operate on (default = 1) |
[in] | a_full | Is aa of size st:nst? |
By default, aa is expected to be of size stnst, i.e., an array of the size of all states. The correct states will be picked from the indices stored in each batch. This is used, for example, for computing residuals given the eigenvalues. For a_full=.false., aa is expected to be of size yynst_linear, i.e. it has the size of the batch only.
Definition at line 779 of file batch_ops.F90.
subroutine, public batch_ops_oct_m::dbatch_axpy_function | ( | integer, intent(in) | np, |
real(real64), dimension(:), intent(in) | aa, | ||
class(batch_t), intent(in) | xx, | ||
real(real64), dimension(:,:), intent(inout), contiguous | psi, | ||
integer, intent(in), optional | nst | ||
) |
This routine performs a set of axpy operations for each function x of a batch (xx), and accumulate the result to y (psi in this case), a single function.
[in] | np | number of points |
[in] | xx | input batch |
[in,out] | psi | result: \( psi = \sum_{ist=1}^{nst} aa(ist) * xx(ist) \) |
[in] | aa | array of multipliers |
[in] | nst | optional upper bound of sum |
Definition at line 930 of file batch_ops.F90.
subroutine, public batch_ops_oct_m::dbatch_ax_function_py | ( | integer, intent(in) | np, |
real(real64), dimension(:), intent(in) | aa, | ||
real(real64), dimension(:,:), intent(in), contiguous | psi, | ||
class(batch_t), intent(inout) | yy | ||
) |
This routine performs a set of axpy operations adding the same function psi to all functions of a batch (yy),.
[in] | np | number of points |
[in] | aa | array of multipliers |
[in] | psi | mesh functions psi |
[in,out] | yy | resulting batch yy(ist) = yy(ist) + aa(ist) * psi |
Definition at line 1035 of file batch_ops.F90.
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scale all functions in a batch by constant aa
[in] | np | number of points |
[in,out] | xx | xx(ist) = xx(ist) * aa |
Definition at line 1118 of file batch_ops.F90.
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scale all functions in a batch by state dependent constant
[in] | np | number of points |
[in,out] | xx | xx(ist) = xx(ist) * aa(ist) |
Definition at line 1154 of file batch_ops.F90.
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calculate yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) for a batch
[in] | np | number of points |
[in] | aa | array of constants aa(ist) |
[in,out] | yy | yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) |
Definition at line 1290 of file batch_ops.F90.
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calculate yy(ist) = xx(ist) + aa*yy(ist) for a batch
[in] | np | number of points |
[in,out] | yy | yy(ist) = xx(ist) + a*yy(ist) |
Definition at line 1429 of file batch_ops.F90.
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Write a single state with np points into a batch at position ist.
[in,out] | this | batch to write the state to |
[in] | ist | position where to write |
[in] | np | number of points |
[in] | psi | the state to write |
Definition at line 1461 of file batch_ops.F90.
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Write a single state with np points into a batch at position defined by index.
[in,out] | this | batch to write the state into |
[in] | index | how to access the state. For further information see batch_ops_oct_m::batch_set_state |
[in] | np | number of points |
[in] | psi | state to write to the batch |
Definition at line 1570 of file batch_ops.F90.
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Write a set of state with np points into a batch.
[in,out] | this | batch to write the states into |
[in] | ii | potision |
[in] | np | number of points |
[in] | psi | states to write |
Definition at line 1588 of file batch_ops.F90.
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Write a get of state with np points from a batch.
Definition at line 1608 of file batch_ops.F90.
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Definition at line 1720 of file batch_ops.F90.
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Definition at line 1737 of file batch_ops.F90.
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copy a set of points into a mesh function
[in] | this | the batch to get points from |
[in] | sp | starting point |
[in] | ep | end point |
[in,out] | psi | mesh function into which to write the points; dimensions (1:nst, 1:dim, sp:ep) |
Definition at line 1757 of file batch_ops.F90.
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copy a set of points into a mesh function
[in,out] | this | the batch to write points into |
[in] | sp | starting point |
[in] | ep | end point |
[in] | psi | mesh function into which to write the points; dimensions (1:nst, 1:dim, sp:ep) |
Definition at line 1832 of file batch_ops.F90.
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multiply all functions in a batch pointwise by a given mesh function ff
[in] | np | number of points |
[in] | ff | mesh function |
[in] | xx | input batch |
[in,out] | yy | output batch |
Definition at line 1914 of file batch_ops.F90.
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Definition at line 2023 of file batch_ops.F90.
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Definition at line 2065 of file batch_ops.F90.
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This routine applies a 'pair-wise' axpy operation to all functions of the batches xx and yy, where the same constant aa is used for all functions.
[in] | np | number of points |
[in,out] | yy | yy(:,:) = aa*xx(:,:) + yy(:,:) |
Definition at line 2184 of file batch_ops.F90.
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This routine applies an 'pair-wise' axpy operation to all functions of the batches xx and yy, where the constant aa(ist) is used for the mesh functions in the batch.
[in] | np | number of points |
[in] | aa | array of multipliers |
[in,out] | yy | y(ist,:) = aa(ist) * x(ist,:) + y(ist,:) |
[in] | a_start | first state to operate on (default = 1) |
[in] | a_full | Is aa of size st:nst? |
By default, aa is expected to be of size stnst, i.e., an array of the size of all states. The correct states will be picked from the indices stored in each batch. This is used, for example, for computing residuals given the eigenvalues. For a_full=.false., aa is expected to be of size yynst_linear, i.e. it has the size of the batch only.
Definition at line 2273 of file batch_ops.F90.
subroutine, public batch_ops_oct_m::zbatch_axpy_function | ( | integer, intent(in) | np, |
complex(real64), dimension(:), intent(in) | aa, | ||
class(batch_t), intent(in) | xx, | ||
complex(real64), dimension(:,:), intent(inout), contiguous | psi, | ||
integer, intent(in), optional | nst | ||
) |
This routine performs a set of axpy operations for each function x of a batch (xx), and accumulate the result to y (psi in this case), a single function.
[in] | np | number of points |
[in] | xx | input batch |
[in,out] | psi | result: \( psi = \sum_{ist=1}^{nst} aa(ist) * xx(ist) \) |
[in] | aa | array of multipliers |
[in] | nst | optional upper bound of sum |
Definition at line 2407 of file batch_ops.F90.
subroutine, public batch_ops_oct_m::zbatch_ax_function_py | ( | integer, intent(in) | np, |
complex(real64), dimension(:), intent(in) | aa, | ||
complex(real64), dimension(:,:), intent(in), contiguous | psi, | ||
class(batch_t), intent(inout) | yy | ||
) |
This routine performs a set of axpy operations adding the same function psi to all functions of a batch (yy),.
[in] | np | number of points |
[in] | aa | array of multipliers |
[in] | psi | mesh functions psi |
[in,out] | yy | resulting batch yy(ist) = yy(ist) + aa(ist) * psi |
Definition at line 2512 of file batch_ops.F90.
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scale all functions in a batch by constant aa
[in] | np | number of points |
[in,out] | xx | xx(ist) = xx(ist) * aa |
Definition at line 2595 of file batch_ops.F90.
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scale all functions in a batch by state dependent constant
[in] | np | number of points |
[in,out] | xx | xx(ist) = xx(ist) * aa(ist) |
Definition at line 2631 of file batch_ops.F90.
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calculate yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) for a batch
[in] | np | number of points |
[in] | aa | array of constants aa(ist) |
[in,out] | yy | yy(ist,:) = xx(ist,:) + aa(ist)*yy(ist,:) |
Definition at line 2750 of file batch_ops.F90.
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calculate yy(ist) = xx(ist) + aa*yy(ist) for a batch
[in] | np | number of points |
[in,out] | yy | yy(ist) = xx(ist) + a*yy(ist) |
Definition at line 2872 of file batch_ops.F90.
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Write a single state with np points into a batch at position ist.
[in,out] | this | batch to write the state to |
[in] | ist | position where to write |
[in] | np | number of points |
[in] | psi | the state to write |
Definition at line 2904 of file batch_ops.F90.
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Write a single state with np points into a batch at position defined by index.
[in,out] | this | batch to write the state into |
[in] | index | how to access the state. For further information see batch_ops_oct_m::batch_set_state |
[in] | np | number of points |
[in] | psi | state to write to the batch |
Definition at line 3000 of file batch_ops.F90.
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Write a set of state with np points into a batch.
[in,out] | this | batch to write the states into |
[in] | ii | potision |
[in] | np | number of points |
[in] | psi | states to write |
Definition at line 3018 of file batch_ops.F90.
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Write a get of state with np points from a batch.
Definition at line 3038 of file batch_ops.F90.
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Definition at line 3165 of file batch_ops.F90.
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Definition at line 3182 of file batch_ops.F90.
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copy a set of points into a mesh function
[in] | this | the batch to get points from |
[in] | sp | starting point |
[in] | ep | end point |
[in,out] | psi | mesh function into which to write the points; dimensions (1:nst, 1:dim, sp:ep) |
Definition at line 3202 of file batch_ops.F90.
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copy a set of points into a mesh function
[in,out] | this | the batch to write points into |
[in] | sp | starting point |
[in] | ep | end point |
[in] | psi | mesh function into which to write the points; dimensions (1:nst, 1:dim, sp:ep) |
Definition at line 3287 of file batch_ops.F90.
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multiply all functions in a batch pointwise by a given mesh function ff
[in] | np | number of points |
[in] | ff | mesh function |
[in] | xx | input batch |
[in,out] | yy | output batch |
Definition at line 3359 of file batch_ops.F90.
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Definition at line 3424 of file batch_ops.F90.
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Definition at line 3466 of file batch_ops.F90.