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elpa
elpa
Commits
ebbf0967
Unverified
Commit
ebbf0967
authored
Jun 30, 2016
by
Andreas Marek
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Simple test case for elpa_solve_tridi
parent
39e2a346
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-0
Makefile.am
Makefile.am
+9
-0
src/elpa_utilities.F90
src/elpa_utilities.F90
+40
-0
test/fortran_test_programs/test_real_toeplitz_matrix.F90
test/fortran_test_programs/test_real_toeplitz_matrix.F90
+408
-0
No files found.
Makefile.am
View file @
ebbf0967
...
...
@@ -195,6 +195,7 @@ dist_files_DATA = \
test
/fortran_test_programs/test_real2_choose_kernel_with_api.F90
\
test
/fortran_test_programs/test_real.F90
\
test
/fortran_test_programs/test_real_with_c.F90
\
test
/fortran_test_programs/test_real_toeplitz_matrix.F90
\
src/elpa2_print_kernels.F90
dist_doc_DATA
=
README.md USERS_GUIDE.md INSTALL.md CONTRIBUTING.md LICENSE Changelog COPYING/COPYING COPYING/gpl.txt COPYING/lgpl.txt
...
...
@@ -217,6 +218,7 @@ noinst_PROGRAMS = \
elpa2_test_complex_default_kernel@SUFFIX@
\
elpa2_test_real_choose_kernel_with_api@SUFFIX@
\
elpa2_test_complex_choose_kernel_with_api@SUFFIX@
\
elpa1_test_real_toeplitz_matrix@SUFFIX@
\
elpa1_test_real_with_c@SUFFIX@
if
!WITH_OPENMP
noinst_PROGRAMS
+=
\
...
...
@@ -279,6 +281,11 @@ elpa1_test_real@SUFFIX@_LDADD = $(build_lib)
elpa1_test_real@SUFFIX@
_FCFLAGS
=
$(AM_FCFLAGS)
@FC_MODOUT@private_modules @FC_MODINC@private_modules
EXTRA_elpa1_test_real@SUFFIX@
_DEPENDENCIES
=
test
/fortran_test_programs/elpa_test_programs_print_headers.X90
elpa1_test_real_toeplitz_matrix@SUFFIX@
_SOURCES
=
test
/fortran_test_programs/test_real_toeplitz_matrix.F90
elpa1_test_real_toeplitz_matrix@SUFFIX@
_LDADD
=
$(build_lib)
elpa1_test_real_toeplitz_matrix@SUFFIX@
_FCFLAGS
=
$(AM_FCFLAGS)
@FC_MODOUT@private_modules @FC_MODINC@private_modules
EXTRA_elpa1_test_real_toeplitz_matrix@SUFFIX@
_DEPENDENCIES
=
test
/fortran_test_programs/elpa_test_programs_print_headers.X90
elpa1_test_real_with_c@SUFFIX@
_SOURCES
=
test
/fortran_test_programs/test_real_with_c.F90
elpa1_test_real_with_c@SUFFIX@
_LDADD
=
$(build_lib)
elpa1_test_real_with_c@SUFFIX@
_FCFLAGS
=
$(AM_FCFLAGS)
@FC_MODOUT@private_modules @FC_MODINC@private_modules
...
...
@@ -340,9 +347,11 @@ check_SCRIPTS = \
elpa2_test_real_default_kernel@SUFFIX@.sh
\
elpa1_test_complex@SUFFIX@.sh
\
elpa2_test_complex@SUFFIX@.sh
\
elpa2_test_real_default_kernel_qr_decomposition@SUFFIX@.sh
\
elpa2_test_complex_default_kernel@SUFFIX@.sh
\
elpa2_test_real_choose_kernel_with_api@SUFFIX@.sh
\
elpa2_test_complex_choose_kernel_with_api@SUFFIX@.sh
\
elpa1_test_real_toeplitz_matrix@SUFFIX@.sh
\
elpa2_print_kernels@SUFFIX@
...
...
src/elpa_utilities.F90
View file @
ebbf0967
...
...
@@ -60,6 +60,7 @@ module ELPA_utilities
private
! By default, all routines contained are private
public
::
debug_messages_via_environment_variable
,
pcol
,
prow
,
error_unit
public
::
map_global_array_index_to_local_index
#ifndef HAVE_ISO_FORTRAN_ENV
integer
(
kind
=
ik
),
parameter
::
error_unit
=
0
#endif
...
...
@@ -123,4 +124,43 @@ module ELPA_utilities
!-------------------------------------------------------------------------------
function
map_global_array_index_to_local_index
(
iGLobal
,
jGlobal
,
iLocal
,
jLocal
,
nblk
,
np_rows
,
np_cols
,
my_prow
,
my_pcol
)
&
result
(
possible
)
use
precision
implicit
none
integer
(
kind
=
ik
)
::
pi
,
pj
,
li
,
lj
,
xi
,
xj
integer
(
kind
=
ik
),
intent
(
in
)
::
iGlobal
,
jGlobal
,
nblk
,
np_rows
,
np_cols
,
my_prow
,
my_pcol
integer
(
kind
=
ik
),
intent
(
out
)
::
iLocal
,
jLocal
logical
::
possible
possible
=
.true.
iLocal
=
0
jLocal
=
0
pi
=
prow
(
iGlobal
,
nblk
,
np_rows
)
if
(
my_prow
.ne.
pi
)
then
possible
=
.false.
return
endif
pj
=
pcol
(
jGlobal
,
nblk
,
np_cols
)
if
(
my_pcol
.ne.
pj
)
then
possible
=
.false.
return
endif
li
=
(
iGlobal
-1
)/(
np_rows
*
nblk
)
! block number for rows
lj
=
(
jGlobal
-1
)/(
np_cols
*
nblk
)
! block number for columns
xi
=
mod
(
(
iGlobal
-1
),
nblk
)
+1
! offset in block li
xj
=
mod
(
(
jGlobal
-1
),
nblk
)
+1
! offset in block lj
iLocal
=
li
*
nblk
+
xi
jLocal
=
lj
*
nblk
+
xj
end
function
end
module
ELPA_utilities
test/fortran_test_programs/test_real_toeplitz_matrix.F90
0 → 100644
View file @
ebbf0967
! This file is part of ELPA.
!
! The ELPA library was originally created by the ELPA consortium,
! consisting of the following organizations:
!
! - Max Planck Computing and Data Facility (MPCDF), formerly known as
! Rechenzentrum Garching der Max-Planck-Gesellschaft (RZG),
! - Bergische Universität Wuppertal, Lehrstuhl für angewandte
! Informatik,
! - Technische Universität München, Lehrstuhl für Informatik mit
! Schwerpunkt Wissenschaftliches Rechnen ,
! - Fritz-Haber-Institut, Berlin, Abt. Theorie,
! - Max-Plack-Institut für Mathematik in den Naturwissenschaften,
! Leipzig, Abt. Komplexe Strukutren in Biologie und Kognition,
! and
! - IBM Deutschland GmbH
!
!
! More information can be found here:
! http://elpa.mpcdf.mpg.de/
!
! ELPA is free software: you can redistribute it and/or modify
! it under the terms of the version 3 of the license of the
! GNU Lesser General Public License as published by the Free
! Software Foundation.
!
! ELPA is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU Lesser General Public License for more details.
!
! You should have received a copy of the GNU Lesser General Public License
! along with ELPA. If not, see <http://www.gnu.org/licenses/>
!
! ELPA reflects a substantial effort on the part of the original
! ELPA consortium, and we ask you to respect the spirit of the
! license that we chose: i.e., please contribute any changes you
! may have back to the original ELPA library distribution, and keep
! any derivatives of ELPA under the same license that we chose for
! the original distribution, the GNU Lesser General Public License.
!
!
#include "config-f90.h"
!>
!> Fortran test programm to demonstrates the use of
!> the elpa_solve_tridi library function
!>
program
test_solve_tridi
!
! Copyright of the original code rests with the authors inside the ELPA
! consortium. The copyright of any additional modifications shall rest
! with their original authors, but shall adhere to the licensing terms
! distributed along with the original code in the file "COPYING".
!
!-------------------------------------------------------------------------------
use
precision
use
ELPA1
use
elpa_utilities
#ifdef WITH_OPENMP
use
test_util
#endif
use
mod_read_input_parameters
use
mod_check_correctness
use
mod_setup_mpi
use
mod_blacs_infrastructure
use
mod_prepare_matrix
use
elpa_mpi
#ifdef HAVE_REDIRECT
use
redirect
#endif
#ifdef HAVE_DETAILED_TIMINGS
use
timings
#endif
use
output_types
implicit
none
!-------------------------------------------------------------------------------
! Please set system size parameters below!
! na: System size
! nev: Number of eigenvectors to be calculated
! nblk: Blocking factor in block cyclic distribution
!-------------------------------------------------------------------------------
integer
(
kind
=
ik
)
::
nblk
integer
(
kind
=
ik
)
::
na
,
nev
integer
(
kind
=
ik
)
::
np_rows
,
np_cols
,
na_rows
,
na_cols
integer
(
kind
=
ik
)
::
myid
,
nprocs
,
my_prow
,
my_pcol
,
mpi_comm_rows
,
mpi_comm_cols
integer
(
kind
=
ik
)
::
i
,
mpierr
,
my_blacs_ctxt
,
sc_desc
(
9
),
info
,
nprow
,
npcol
integer
,
external
::
numroc
real
(
kind
=
rk
),
allocatable
::
a
(:,:),
d
(:),
e
(:),
ev_analytic
(:),
ev
(:)
real
(
kind
=
rk
)
::
diagonalELement
,
subdiagonalElement
real
(
kind
=
rk
),
allocatable
::
tmp1
(:,:),
tmp2
(:,:),
as
(:,:)
real
(
kind
=
rk
)
::
tmp
integer
(
kind
=
ik
)
::
loctmp
,
rowLocal
,
colLocal
real
(
kind
=
rk
)
::
maxerr
logical
::
wantDebug
real
(
kind
=
rk
),
parameter
::
pi
=
3.141592653589793238462643383279_rk
integer
(
kind
=
ik
)
::
iseed
(
4096
)
! Random seed, size should be sufficient for every generator
integer
(
kind
=
ik
)
::
STATUS
#ifdef WITH_OPENMP
integer
(
kind
=
ik
)
::
omp_get_max_threads
,
required_mpi_thread_level
,
&
provided_mpi_thread_level
#endif
type
(
output_t
)
::
write_to_file
logical
::
success
character
(
len
=
8
)
::
task_suffix
integer
(
kind
=
ik
)
::
j
!-------------------------------------------------------------------------------
success
=
.true.
call
read_input_parameters
(
na
,
nev
,
nblk
,
write_to_file
)
!-------------------------------------------------------------------------------
! MPI Initialization
call
setup_mpi
(
myid
,
nprocs
)
STATUS
=
0
!#define DATATYPE REAL
!#define ELPA1
!#include "elpa_test_programs_print_headers.X90"
#ifdef HAVE_DETAILED_TIMINGS
! initialise the timing functionality
#ifdef HAVE_LIBPAPI
call
timer
%
measure_flops
(
.true.
)
#endif
call
timer
%
measure_allocated_memory
(
.true.
)
call
timer
%
measure_virtual_memory
(
.true.
)
call
timer
%
measure_max_allocated_memory
(
.true.
)
call
timer
%
set_print_options
(&
#ifdef HAVE_LIBPAPI
print_flop_count
=
.true.
,
&
print_flop_rate
=
.true.
,
&
#endif
print_allocated_memory
=
.true.
,
&
print_virtual_memory
=
.true.
,
&
print_max_allocated_memory
=
.true.
)
call
timer
%
enable
()
call
timer
%
start
(
"program"
)
#endif
do
np_cols
=
NINT
(
SQRT
(
REAL
(
nprocs
))),
2
,
-1
if
(
mod
(
nprocs
,
np_cols
)
==
0
)
exit
enddo
! at the end of the above loop, nprocs is always divisible by np_cols
np_rows
=
nprocs
/
np_cols
if
(
myid
==
0
)
then
print
*
print
'(a)'
,
'Test program for elpa_solve_tridi with a Toeplitz matrix'
print
*
print
'(3(a,i0))'
,
'Matrix size='
,
na
,
', Number of eigenvectors='
,
nev
,
', Block size='
,
nblk
print
'(3(a,i0))'
,
'Number of processor rows='
,
np_rows
,
', cols='
,
np_cols
,
', total='
,
nprocs
print
*
endif
!-------------------------------------------------------------------------------
! Set up BLACS context and MPI communicators
!
! The BLACS context is only necessary for using Scalapack.
!
! For ELPA, the MPI communicators along rows/cols are sufficient,
! and the grid setup may be done in an arbitrary way as long as it is
! consistent (i.e. 0<=my_prow<np_rows, 0<=my_pcol<np_cols and every
! process has a unique (my_prow,my_pcol) pair).
call
set_up_blacsgrid
(
mpi_comm_world
,
my_blacs_ctxt
,
np_rows
,
np_cols
,
&
nprow
,
npcol
,
my_prow
,
my_pcol
)
if
(
myid
==
0
)
then
print
'(a)'
,
'| Past BLACS_Gridinfo.'
end
if
! All ELPA routines need MPI communicators for communicating within
! rows or columns of processes, these are set in get_elpa_communicators.
mpierr
=
get_elpa_communicators
(
mpi_comm_world
,
my_prow
,
my_pcol
,
&
mpi_comm_rows
,
mpi_comm_cols
)
if
(
myid
==
0
)
then
print
'(a)'
,
'| Past split communicator setup for rows and columns.'
end
if
call
set_up_blacs_descriptor
(
na
,
nblk
,
my_prow
,
my_pcol
,
np_rows
,
np_cols
,
&
na_rows
,
na_cols
,
sc_desc
,
my_blacs_ctxt
,
info
)
if
(
myid
==
0
)
then
print
'(a)'
,
'| Past scalapack descriptor setup.'
end
if
!-------------------------------------------------------------------------------
! Allocate matrices and set up a test toeplitz matrix for solve_tridi
#ifdef HAVE_DETAILED_TIMINGS
call
timer
%
start
(
"set up matrix"
)
#endif
allocate
(
a
(
na_rows
,
na_cols
))
allocate
(
as
(
na_rows
,
na_cols
))
allocate
(
d
(
na
))
allocate
(
e
(
na
))
allocate
(
ev_analytic
(
na
))
allocate
(
ev
(
na
))
a
(:,:)
=
0.0_rk
! changeable numbers here would be nice
diagonalElement
=
0.45_rk
subdiagonalElement
=
0.78_rk
d
(:)
=
diagonalElement
e
(:)
=
subdiagonalElement
! set up the diagonal and subdiagonals (for general solver test)
do
i
=
1
,
na
! for diagonal elements
if
(
map_global_array_index_to_local_index
(
i
,
i
,
rowLocal
,
colLocal
,
nblk
,
np_rows
,
np_cols
,
my_prow
,
my_pcol
))
then
a
(
rowLocal
,
colLocal
)
=
diagonalElement
endif
enddo
do
i
=
1
,
na
-1
if
(
map_global_array_index_to_local_index
(
i
,
i
+1
,
rowLocal
,
colLocal
,
nblk
,
np_rows
,
np_cols
,
my_prow
,
my_pcol
))
then
a
(
rowLocal
,
colLocal
)
=
subdiagonalElement
endif
enddo
do
i
=
2
,
na
if
(
map_global_array_index_to_local_index
(
i
,
i
-1
,
rowLocal
,
colLocal
,
nblk
,
np_rows
,
np_cols
,
my_prow
,
my_pcol
))
then
a
(
rowLocal
,
colLocal
)
=
subdiagonalElement
endif
enddo
as
=
a
#ifdef HAVE_DETAILED_TIMINGS
call
timer
%
stop
(
"set up matrix"
)
#endif
!-------------------------------------------------------------------------------
! Calculate eigenvalues/eigenvectors
if
(
myid
==
0
)
then
print
'(a)'
,
'| Entering elpa_solve_tridi ... '
print
*
end
if
#ifdef WITH_MPI
call
mpi_barrier
(
mpi_comm_world
,
mpierr
)
! for correct timings only
#endif
success
=
elpa_solve_tridi
(
na
,
nev
,
d
,
e
,
a
,
na_rows
,
nblk
,
na_cols
,
mpi_comm_rows
,
&
mpi_comm_cols
,
wantDebug
)
if
(
.not.
(
success
))
then
write
(
error_unit
,
*
)
"elpa_solve_tridi produced an error! Aborting..."
#ifdef WITH_MPI
call
MPI_ABORT
(
mpi_comm_world
,
1
,
mpierr
)
#endif
endif
if
(
myid
==
0
)
then
print
'(a)'
,
'| elpa_solve_tridi complete.'
print
*
end
if
ev
=
d
!
! if(myid == 0) print *,'Time tridiag_real :',time_evp_fwd
! if(myid == 0) print *,'Time solve_tridi :',time_evp_solve
! if(myid == 0) print *,'Time trans_ev_real :',time_evp_back
! if(myid == 0) print *,'Total time (sum above):',time_evp_back+time_evp_solve+time_evp_fwd
!
! if(write_to_file%eigenvectors) then
! write(unit = task_suffix, fmt = '(i8.8)') myid
! open(17,file="EVs_real_out_task_"//task_suffix(1:8)//".txt",form='formatted',status='new')
! write(17,*) "Part of eigenvectors: na_rows=",na_rows,"of na=",na," na_cols=",na_cols," of na=",na
!
! do i=1,na_rows
! do j=1,na_cols
! write(17,*) "row=",i," col=",j," element of eigenvector=",z(i,j)
! enddo
! enddo
! close(17)
! endif
!
! if(write_to_file%eigenvalues) then
! if (myid == 0) then
! open(17,file="Eigenvalues_real_out.txt",form='formatted',status='new')
! do i=1,na
! write(17,*) i,ev(i)
! enddo
! close(17)
! endif
! endif
!
!
!-------------------------------------------------------------------------------
! analytic solution
do
i
=
1
,
na
ev_analytic
(
i
)
=
diagonalElement
+
2.0_rk
*
subdiagonalElement
*
cos
(
pi
*
real
(
i
,
kind
=
rk
)/
real
(
na
+1
,
kind
=
rk
)
)
enddo
! sort analytic solution:
! this hack is neihter elegant, nor optimized: for huge matrixes it might be expensive
! a proper sorting algorithmus might be implemented here
tmp
=
minval
(
ev_analytic
)
loctmp
=
minloc
(
ev_analytic
,
1
)
ev_analytic
(
loctmp
)
=
ev_analytic
(
1
)
ev_analytic
(
1
)
=
tmp
do
i
=
2
,
na
tmp
=
ev_analytic
(
i
)
do
j
=
i
,
na
if
(
ev_analytic
(
j
)
.lt.
tmp
)
then
tmp
=
ev_analytic
(
j
)
loctmp
=
j
endif
enddo
ev_analytic
(
loctmp
)
=
ev_analytic
(
i
)
ev_analytic
(
i
)
=
tmp
enddo
! compute a simple error max of eigenvalues
maxerr
=
0.0_rk
maxerr
=
maxval
(
(
d
(:)
-
ev_analytic
(:))/
ev_analytic
(:)
,
1
)
if
(
maxerr
.gt.
8.e-13
)
then
if
(
myid
.eq.
0
)
then
print
*
,
"Eigenvalues differ from analytic solution: maxerr = "
,
maxerr
endif
status
=
1
endif
! Test correctness of result (using plain scalapack routines)
allocate
(
tmp1
(
na_rows
,
na_cols
))
allocate
(
tmp2
(
na_rows
,
na_cols
))
status
=
check_correctness
(
na
,
nev
,
as
,
a
,
ev
,
sc_desc
,
myid
,
tmp1
,
tmp2
)
deallocate
(
a
)
deallocate
(
as
)
deallocate
(
d
)
deallocate
(
tmp1
)
deallocate
(
tmp2
)
deallocate
(
e
)
deallocate
(
ev
)
deallocate
(
ev_analytic
)
#ifdef HAVE_DETAILED_TIMINGS
call
timer
%
stop
(
"program"
)
print
*
,
" "
print
*
,
"Timings program:"
print
*
,
" "
call
timer
%
print
(
"program"
)
print
*
,
" "
print
*
,
"End timings program"
print
*
,
" "
#endif
#ifdef WITH_MPI
call
blacs_gridexit
(
my_blacs_ctxt
)
call
mpi_finalize
(
mpierr
)
#endif
call
EXIT
(
STATUS
)
end
!-------------------------------------------------------------------------------
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