NAG Library Routine Document
f01gbf
(real_gen_matrix_actexp_rcomm)
1
Purpose
f01gbf computes the action of the matrix exponential , on the matrix , where is a real by matrix, is a real by matrix and is a real scalar. It uses reverse communication for evaluating matrix products, so that the matrix is not accessed explicitly.
2
Specification
Fortran Interface
Subroutine f01gbf ( |
irevcm,
n,
m,
b,
ldb,
t,
tr,
b2,
ldb2,
x,
ldx,
y,
ldy,
p,
r,
z,
comm,
icomm,
ifail) |
Integer, Intent (In) | :: |
n,
m,
ldb,
ldb2,
ldx,
ldy | Integer, Intent (Inout) | :: |
irevcm,
icomm(2*n+40),
ifail | Real (Kind=nag_wp), Intent (In) | :: |
t,
tr | Real (Kind=nag_wp), Intent (Inout) | :: |
b(ldb,*),
b2(ldb2,*),
x(ldx,*),
y(ldy,*),
p(n),
r(n),
z(n),
comm(n*m+3*n+12) |
|
C Header Interface
#include nagmk26.h
void |
f01gbf_ (
Integer *irevcm,
const Integer *n,
const Integer *m,
double b[],
const Integer *ldb,
const double *t,
const double *tr,
double b2[],
const Integer *ldb2,
double x[],
const Integer *ldx,
double y[],
const Integer *ldy,
double p[],
double r[],
double z[],
double comm[],
Integer icomm[],
Integer *ifail) |
|
3
Description
is computed using the algorithm described in
Al–Mohy and Higham (2011) which uses a truncated Taylor series to compute the
without explicitly forming
.
The algorithm does not explicity need to access the elements of ; it only requires the result of matrix multiplications of the form or . A reverse communication interface is used, in which control is returned to the calling program whenever a matrix product is required.
4
References
Al–Mohy A H and Higham N J (2011) Computing the action of the matrix exponential, with an application to exponential integrators SIAM J. Sci. Statist. Comput. 33(2) 488-511
Higham N J (2008) Functions of Matrices: Theory and Computation SIAM, Philadelphia, PA, USA
5
Arguments
Note: this routine uses
reverse communication. Its use involves an initial entry, intermediate exits and re-entries, and a final exit, as indicated by the argument
irevcm. Between intermediate exits and re-entries,
all arguments other than b2, x, y, p and r must remain unchanged.
- 1: – IntegerInput/Output
-
On initial entry: must be set to .
On intermediate exit:
,
,
,
or
. The calling program must:
(a) |
if : evaluate , where is an by matrix, and store the result in b2;
if : evaluate , where and are by matrices, and store the result in y;
if : evaluate and store the result in x;
if : evaluate and store the result in p;
if : evaluate and store the result in r. |
(b) |
call f01gbf again with all other parameters unchanged. |
On final exit: .
Note: any values you return to f01gbf as part of the reverse communication procedure should not include floating-point NaN (Not a Number) or infinity values, since these are not handled by f01gbf. If your code inadvertently does return any NaNs or infinities, f01gbf is likely to produce unexpected results.
- 2: – IntegerInput
-
On entry: , the order of the matrix .
Constraint:
.
- 3: – IntegerInput
-
On entry: the number of columns of the matrix .
Constraint:
.
- 4: – Real (Kind=nag_wp) arrayInput/Output
-
Note: the second dimension of the array
b
must be at least
.
On initial entry: the by matrix .
On intermediate exit:
if , contains the by matrix .
On intermediate re-entry: must not be changed.
On final exit: the by matrix .
- 5: – IntegerInput
-
On entry: the first dimension of the array
b as declared in the (sub)program from which
f01gbf is called.
Constraint:
.
- 6: – Real (Kind=nag_wp)Input
-
On entry: the scalar .
- 7: – Real (Kind=nag_wp)Input
-
On entry: the trace of
. If this is not available then any number can be supplied (
is a reasonable default); however, in the trivial case,
, the result
is immediately returned in the first row of
. See
Section 9.
- 8: – Real (Kind=nag_wp) arrayInput/Output
-
Note: the second dimension of the array
b2
must be at least
.
On initial entry: need not be set.
On intermediate re-entry: if , must contain .
On final exit: the array is undefined.
- 9: – IntegerInput
-
On initial entry: the first dimension of the array
b2 as declared in the (sub)program from which
f01gbf is called.
Constraint:
.
- 10: – Real (Kind=nag_wp) arrayInput/Output
-
Note: the second dimension of the array
x
must be at least
.
On initial entry: need not be set.
On intermediate exit:
if , contains the current by matrix .
On intermediate re-entry: if , must contain .
On final exit: the array is undefined.
- 11: – IntegerInput
-
On entry: the first dimension of the array
x as declared in the (sub)program from which
f01gbf is called.
Constraint:
.
- 12: – Real (Kind=nag_wp) arrayInput/Output
-
Note: the second dimension of the array
y
must be at least
.
On initial entry: need not be set.
On intermediate exit:
if , contains the current by matrix .
On intermediate re-entry: if , must contain .
On final exit: the array is undefined.
- 13: – IntegerInput
-
On entry: the first dimension of the array
y as declared in the (sub)program from which
f01gbf is called.
Constraint:
.
- 14: – Real (Kind=nag_wp) arrayInput/Output
-
On initial entry: need not be set.
On intermediate re-entry: if , must contain .
On final exit: the array is undefined.
- 15: – Real (Kind=nag_wp) arrayInput/Output
-
On initial entry: need not be set.
On intermediate re-entry: if , must contain .
On final exit: the array is undefined.
- 16: – Real (Kind=nag_wp) arrayInput/Output
-
On initial entry: need not be set.
On intermediate exit:
if or , contains the vector .
On intermediate re-entry: must not be changed.
On final exit: the array is undefined.
- 17: – Real (Kind=nag_wp) arrayCommunication Array
-
- 18: – Integer arrayCommunication Array
-
- 19: – IntegerInput/Output
-
On initial entry:
ifail must be set to
,
. If you are unfamiliar with this argument you should refer to
Section 3.4 in How to Use the NAG Library and its Documentation for details.
For environments where it might be inappropriate to halt program execution when an error is detected, the value
is recommended. If the output of error messages is undesirable, then the value
is recommended. Otherwise, because for this routine the values of the output arguments may be useful even if
on exit, the recommended value is
.
When the value is used it is essential to test the value of ifail on exit.
On final exit:
unless the routine detects an error or a warning has been flagged (see
Section 6).
6
Error Indicators and Warnings
If on entry
or
, explanatory error messages are output on the current error message unit (as defined by
x04aaf).
Errors or warnings detected by the routine:
-
has been computed using an IEEE double precision Taylor series, although the arithmetic precision is higher than IEEE double precision.
-
On initial entry, .
Constraint: .
On intermediate re-entry, .
Constraint: , , , or .
-
On initial entry, .
Constraint: .
-
On initial entry, .
Constraint: .
-
On initial entry, and .
Constraint: .
-
On initial entry, and .
Constraint: .
-
On initial entry, and .
Constraint: .
-
On initial entry, and .
Constraint: .
An unexpected error has been triggered by this routine. Please
contact
NAG.
See
Section 3.9 in How to Use the NAG Library and its Documentation for further information.
Your licence key may have expired or may not have been installed correctly.
See
Section 3.8 in How to Use the NAG Library and its Documentation for further information.
Dynamic memory allocation failed.
See
Section 3.7 in How to Use the NAG Library and its Documentation for further information.
7
Accuracy
For a symmetric matrix
(for which
) the computed matrix
is guaranteed to be close to the exact matrix, that is, the method is forward stable. No such guarantee can be given for non-symmetric matrices. See Section 4 of
Al–Mohy and Higham (2011) for details and further discussion.
8
Parallelism and Performance
f01gbf is threaded by NAG for parallel execution in multithreaded implementations of the NAG Library.
Please consult the
X06 Chapter Introduction for information on how to control and interrogate the OpenMP environment used within this routine. Please also consult the
Users' Note for your implementation for any additional implementation-specific information.
The elements of are not explicitly required by f01gbf. However, the trace of is used in the preprocessing phase of the algorithm. If is not available to the calling subroutine then any number can be supplied ( is recommended). This will not affect the stability of the algorithm, but it may reduce its efficiency.
f01gbf is designed to be used when is large and sparse. Whenever a matrix multiplication is required, the routine will return control to the calling program so that the multiplication can be done in the most efficient way possible. Note that will not, in general, be sparse even if is sparse.
If
is small and dense then
f01gaf can be used to compute
without the use of a reverse communication interface.
The complex analog of
f01gbf is
f01hbf.
To compute
, the following skeleton code can normally be used:
revcm: Do
Call f01gbf(irevcm,n,m,b,ldb,t,tr,b2,ldb2,x,ldx,y,ldy,p,r,z, &
comm,icomm,ifail)
If (irevcm == 0) Then
Exit revcm
Else If (irevcm == 1) Then
.. Code to compute b2=ab ..
Else If (irevcm == 2) Then
.. Code to compute y=ax ..
Else If (irevcm == 3) Then
.. Code to compute x=a^t y ..
Else If (irevcm == 4) Then
.. Code to compute p=az ..
Else If (irevcm == 5) Then
.. Code to compute r=a^t z ..
End If
End Do revcm
The code used to compute the matrix products will vary depending on the way
is stored. If all the elements of
are stored explicitly, then
f06yaf (dgemm)) can be used. If
is triangular then
f06yff (dtrmm) should be used. If
is symmetric, then
f06ycf (dsymm) should be used. For sparse
stored in coordinate storage format
f11xaf and
f11xef can be used. Alternatively if
is stored in compressed column format
f11mkf can be used.
10
Example
This example computes
, where
and
10.1
Program Text
Program Text (f01gbfe.f90)
10.2
Program Data
Program Data (f01gbfe.d)
10.3
Program Results
Program Results (f01gbfe.r)