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elpa
elpa
Commits
b9961bd0
Commit
b9961bd0
authored
Jan 31, 2017
by
Andreas Marek
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Playing with an interface
parent
2e2e4131
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4
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4 changed files
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691 additions
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+691
-0
Makefile.am
Makefile.am
+10
-0
src/elpa_init.F90
src/elpa_init.F90
+21
-0
src/elpa_t.F90
src/elpa_t.F90
+271
-0
test/Fortran/test_new_interface.F90
test/Fortran/test_new_interface.F90
+389
-0
No files found.
Makefile.am
View file @
b9961bd0
...
...
@@ -17,6 +17,8 @@ libelpa@SUFFIX@_public_la_SOURCES = \
src/elpa1_auxiliary.F90
\
src/elpa1_utilities.F90
\
src/elpa2_utilities.F90
\
src/elpa_init.F90
\
src/elpa_t.F90
\
src/elpa_utilities.F90
# internal parts
...
...
@@ -322,6 +324,7 @@ dist_files_DATA = \
test
/Fortran/test_invert_trm_real.F90
\
test
/Fortran/test_cholesky_complex.F90
\
test
/Fortran/test_invert_trm_complex.F90
\
test
/Fortran/test_new_interface.F90
\
src/elpa2_print_kernels.F90
#end needed
...
...
@@ -363,6 +366,7 @@ noinst_PROGRAMS = \
elpa2_test_real_c_version@SUFFIX@
\
elpa2_test_complex_c_version@SUFFIX@
\
elpa_driver_real_c_version@SUFFIX@
\
elpa_test_new_interface@SUFFIX@
\
elpa_driver_complex_c_version@SUFFIX@
if
WANT_SINGLE_PRECISION_COMPLEX
...
...
@@ -435,6 +439,11 @@ libelpatest@SUFFIX@_la_SOURCES += \
test
/shared/redir.c
\
test
/shared/redirect.F90
endif
elpa_test_new_interface@SUFFIX@
_SOURCES
=
test
/Fortran/test_new_interface.F90
elpa_test_new_interface@SUFFIX@
_LDADD
=
$(build_lib)
$(FCLIBS)
elpa_test_new_interface@SUFFIX@
_FCFLAGS
=
$(AM_FCFLAGS)
@FC_MODOUT@private_modules @FC_MODINC@private_modules
EXTRA_elpa_test_new_interface@SUFFIX@
_DEPENDENCIES
=
test
/Fortran/elpa_print_headers.X90
elpa1_test_real_c_version@SUFFIX@
_SOURCES
=
test
/C/elpa1_test_real_c_version.c
elpa1_test_real_c_version@SUFFIX@
_LDADD
=
$(build_lib)
$(FCLIBS)
...
...
@@ -753,6 +762,7 @@ check_SCRIPTS = \
elpa2_test_real_c_version@SUFFIX@.sh
\
elpa2_test_complex_c_version@SUFFIX@.sh
\
elpa_driver_real_c_version@SUFFIX@.sh
\
elpa_test_new_interface@SUFFIX@.sh
\
elpa_driver_complex_c_version@SUFFIX@.sh
if
WANT_SINGLE_PRECISION_REAL
...
...
src/elpa_init.F90
0 → 100644
View file @
b9961bd0
module
init_elpa
private
public
::
elpa_init
,
initDone
logical
::
initDone
=
.false.
contains
subroutine
elpa_init
()
implicit
none
! must be done by all task using ELPA !!!
initDone
=
.true.
end
subroutine
end
module
init_elpa
src/elpa_t.F90
0 → 100644
View file @
b9961bd0
module
elpa_type
use
iso_c_binding
private
public
::
elpa_create
,
elpa_t
type
::
elpa_t
integer
(
kind
=
c_int
)
::
mpi_comm_rows
,
mpi_comm_cols
,
mpi_comm_global
integer
(
kind
=
c_int
)
::
na
,
nev
,
local_nrows
,
local_ncols
,
nblk
integer
(
kind
=
c_int
)
::
real_kernel
,
complex_kernel
integer
(
kind
=
c_int
)
::
useQR
,
useGPU
character
(
6
)
::
solver
character
(
8
)
::
timings
contains
generic
,
public
::
set_option
=>
elpa_set_option_string
,
elpa_set_option_integer
procedure
,
private
::
elpa_set_option_string
,
elpa_set_option_integer
generic
,
public
::
get_option
=>
elpa_get_option_string
,
elpa_get_option_integer
procedure
,
private
::
elpa_get_option_string
,
elpa_get_option_integer
procedure
::
get_communicators
=>
get_communicators
procedure
::
solve_real_double
=>
elpa_solve_real_double
end
type
elpa_t
contains
function
elpa_create
(
na
,
nev
,
local_nrows
,
local_ncols
,
nblk
)
result
(
elpa
)
use
precision
use
init_elpa
use
elpa2_utilities
,
only
:
DEFAULT_REAL_ELPA_KERNEL
,
DEFAULT_COMPLEX_ELPA_KERNEL
implicit
none
integer
(
kind
=
ik
),
intent
(
in
)
::
na
,
nev
,
local_nrows
,
local_ncols
,
nblk
type
(
elpa_t
)
::
elpa
! check whether init has ever been called
if
(
.not.
(
initDone
))
then
print
*
,
"ERROR: you must call elpa_init() once before creating instances of ELPA"
stop
endif
elpa
%
na
=
na
elpa
%
nev
=
nev
elpa
%
local_nrows
=
local_nrows
elpa
%
local_ncols
=
local_ncols
elpa
%
nblk
=
nblk
! some default values
elpa
%
solver
=
"2stage"
elpa
%
real_kernel
=
DEFAULT_REAL_ELPA_KERNEL
elpa
%
complex_kernel
=
DEFAULT_COMPLEX_ELPA_KERNEL
elpa
%
useQR
=
0
elpa
%
useGPU
=
0
elpa
%
timings
=
"none"
end
function
function
elpa_set_option_string
(
self
,
keyword
,
value
)
result
(
success
)
use
iso_c_binding
use
elpa1
,
only
:
elpa_print_times
implicit
none
class
(
elpa_t
)
::
self
character
(
*
),
intent
(
in
)
::
keyword
character
(
*
),
intent
(
in
)
::
value
integer
(
kind
=
c_int
)
::
success
success
=
0
if
(
trim
(
keyword
)
.eq.
"solver"
)
then
if
(
trim
(
value
)
.eq.
"1stage"
)
then
self
%
solver
=
"1stage"
success
=
1
else
if
(
trim
(
value
)
.eq.
"2stage"
)
then
self
%
solver
=
"2stage"
success
=
1
else
if
(
trim
(
value
)
.eq.
"auto"
)
then
self
%
solver
=
"auto "
success
=
1
else
print
*
,
" not allowed key/value pair: "
,
trim
(
keyword
),
"/"
,
trim
(
value
)
success
=
0
endif
else
if
(
trim
(
keyword
)
.eq.
"timings"
)
then
if
(
trim
(
value
)
.eq.
"balanced"
)
then
elpa_print_times
=
.true.
success
=
1
else
if
(
trim
(
value
)
.eq.
"detailed"
)
then
print
*
,
"detailed timings not yet implemented"
elpa_print_times
=
.false.
success
=
1
else
if
(
trim
(
value
)
.eq.
"none"
)
then
elpa_print_times
=
.false.
success
=
1
else
print
*
,
" not allowed key/value pair: "
,
trim
(
keyword
),
"/"
,
trim
(
value
)
success
=
0
endif
else
print
*
,
" not allowed key/value pair: "
,
trim
(
keyword
),
"/"
,
trim
(
value
)
success
=
0
endif
end
function
elpa_set_option_string
function
elpa_set_option_integer
(
self
,
keyword
,
value
)
result
(
success
)
use
iso_c_binding
use
elpa2_utilities
,
only
:
check_allowed_real_kernels
,
check_allowed_complex_kernels
implicit
none
class
(
elpa_t
)
::
self
character
(
*
),
intent
(
in
)
::
keyword
integer
(
kind
=
c_int
),
intent
(
in
)
::
value
integer
(
kind
=
c_int
)
::
success
success
=
0
if
(
trim
(
keyword
)
.eq.
"real_kernel"
)
then
if
(
.not.
(
check_allowed_real_kernels
(
value
)))
then
self
%
real_kernel
=
value
success
=
1
else
print
*
,
"Setting this real_kernel is not possible"
success
=
0
endif
else
if
(
trim
(
keyword
)
.eq.
"complex_kernel"
)
then
if
(
.not.
(
check_allowed_complex_kernels
(
value
)))
then
self
%
complex_kernel
=
value
success
=
1
else
print
*
,
"Setting this complex_kernel is not possible"
success
=
0
endif
else
if
(
trim
(
keyword
)
.eq.
"use_qr"
)
then
if
(
value
.eq.
1
)
then
self
%
useQr
=
1
success
=
1
else
if
(
value
.eq.
0
)
then
self
%
useQr
=
0
success
=
1
else
print
*
,
" not allowed key/value pair: "
,
trim
(
keyword
),
"/"
,
value
success
=
0
endif
else
if
(
trim
(
keyword
)
.eq.
"use_gpu"
)
then
if
(
value
.eq.
1
)
then
self
%
useGPU
=
1
success
=
1
else
if
(
value
.eq.
0
)
then
self
%
useGPU
=
0
success
=
1
else
print
*
,
" not allowed key/value pair: "
,
trim
(
keyword
),
"/"
,
value
success
=
0
endif
else
print
*
,
" not allowed key/value pair: "
,
trim
(
keyword
),
"/"
,
value
success
=
0
endif
end
function
elpa_set_option_integer
function
elpa_get_option_string
(
self
,
keyword
,
value
)
result
(
success
)
use
iso_c_binding
use
elpa1
,
only
:
elpa_print_times
implicit
none
class
(
elpa_t
)
::
self
character
(
*
),
intent
(
in
)
::
keyword
character
(
*
),
intent
(
inout
)
::
value
integer
(
kind
=
c_int
)
::
success
success
=
0
if
(
trim
(
keyword
)
.eq.
"solver"
)
then
value
=
trim
(
self
%
solver
)
success
=
1
else
if
(
trim
(
keyword
)
.eq.
"timings"
)
then
if
(
elpa_print_times
)
then
value
=
"balanced"
success
=
1
else
! detailed not yet implemented
success
=
1
endif
else
print
*
,
" not allowed key/value pair: "
,
trim
(
keyword
),
"/"
,
trim
(
value
)
success
=
0
endif
end
function
elpa_get_option_string
function
elpa_get_option_integer
(
self
,
keyword
,
value
)
result
(
success
)
use
iso_c_binding
implicit
none
class
(
elpa_t
)
::
self
character
(
*
),
intent
(
in
)
::
keyword
integer
(
kind
=
c_int
),
intent
(
inout
)
::
value
integer
(
kind
=
c_int
)
::
success
success
=
0
if
(
trim
(
keyword
)
.eq.
"real_kernel"
)
then
value
=
self
%
real_kernel
success
=
1
else
if
(
trim
(
keyword
)
.eq.
"complex_kernel"
)
then
value
=
self
%
complex_kernel
success
=
1
else
if
(
trim
(
keyword
)
.eq.
"use_qr"
)
then
value
=
self
%
useQr
success
=
1
else
if
(
trim
(
keyword
)
.eq.
"use_gpu"
)
then
value
=
self
%
useGPU
success
=
1
else
print
*
,
" not allowed key/value pair: "
,
trim
(
keyword
),
"/"
,
value
success
=
0
endif
end
function
elpa_get_option_integer
function
get_communicators
(
self
,
mpi_comm_global
,
my_prow
,
my_pcol
,
mpi_comm_rows
,
mpi_comm_cols
)
result
(
mpierr
)
use
iso_c_binding
use
elpa_mpi
use
elpa1
,
only
:
elpa_get_communicators
implicit
none
class
(
elpa_t
)
::
self
integer
(
kind
=
c_int
),
intent
(
in
)
::
mpi_comm_global
,
my_prow
,
my_pcol
integer
(
kind
=
c_int
),
intent
(
out
)
::
mpi_comm_rows
,
mpi_comm_cols
integer
(
kind
=
c_int
)
::
mpierr
mpierr
=
elpa_get_communicators
(
mpi_comm_global
,
my_prow
,
my_pcol
,
mpi_comm_rows
,
mpi_comm_cols
)
self
%
mpi_comm_rows
=
mpi_comm_rows
self
%
mpi_comm_cols
=
mpi_comm_cols
self
%
mpi_comm_global
=
mpi_comm_global
end
function
function
elpa_solve_real_double
(
self
,
a
,
ev
,
q
)
result
(
success
)
use
elpa
use
iso_c_binding
implicit
none
class
(
elpa_t
)
::
self
real
(
kind
=
c_double
)
::
a
(
self
%
local_nrows
,
self
%
local_ncols
),
q
(
self
%
local_nrows
,
self
%
local_ncols
),
&
ev
(
self
%
na
)
integer
(
kind
=
c_int
)
::
success
logical
::
successDummy
successDummy
=
elpa_solve_evp_real_double
(
self
%
na
,
self
%
nev
,
a
,
self
%
local_nrows
,
ev
,
q
,
&
self
%
local_nrows
,
self
%
nblk
,
self
%
local_ncols
,
&
self
%
mpi_comm_rows
,
self
%
mpi_comm_cols
,
&
self
%
mpi_comm_global
,
method
=
trim
(
self
%
solver
))
if
(
successDummy
)
then
success
=
1
else
success
=
0
endif
end
function
end
module
test/Fortran/test_new_interface.F90
0 → 100644
View file @
b9961bd0
! 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
!> ELPA 2 real case library.
!> If "HAVE_REDIRECT" was defined at build time
!> the stdout and stderr output of each MPI task
!> can be redirected to files if the environment
!> variable "REDIRECT_ELPA_TEST_OUTPUT" is set
!> to "true".
!>
!> By calling executable [arg1] [arg2] [arg3] [arg4]
!> one can define the size (arg1), the number of
!> Eigenvectors to compute (arg2), and the blocking (arg3).
!> If these values are not set default values (4000, 1500, 16)
!> are choosen.
!> If these values are set the 4th argument can be
!> "output", which specifies that the EV's are written to
!> an ascii file.
!>
!> The real ELPA 2 kernel is set as the default kernel.
!> However, this can be overriden by setting
!> the environment variable "REAL_ELPA_KERNEL" to an
!> appropiate value.
!>
program
test_real2_double_precision
!-------------------------------------------------------------------------------
! Standard eigenvalue problem - REAL version
!
! This program demonstrates the use of the ELPA module
! together with standard scalapack routines
!
! 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
ELPA2
use
elpa2_utilities
use
mod_check_for_gpu
,
only
:
check_for_gpu
use
elpa_utilities
,
only
:
error_unit
#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
use
elpa_type
use
init_elpa
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
(
kind
=
ik
),
external
::
numroc
real
(
kind
=
rk8
),
allocatable
::
a
(:,:),
z
(:,:),
tmp1
(:,:),
tmp2
(:,:),
as
(:,:),
ev
(:)
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
logical
::
successELPA
,
success
integer
(
kind
=
ik
)
::
success_test
integer
(
kind
=
ik
)
::
numberOfDevices
logical
::
gpuAvailable
type
(
output_t
)
::
write_to_file
character
(
len
=
8
)
::
task_suffix
integer
(
kind
=
ik
)
::
j
type
(
elpa_t
)
::
instance1
integer
(
kind
=
ik
)
::
use_qr
character
(
7
)
::
solver
#define DOUBLE_PRECISION_REAL 1
successELPA
=
.true.
gpuAvailable
=
.false.
call
read_input_parameters
(
na
,
nev
,
nblk
,
write_to_file
)
!-------------------------------------------------------------------------------
! MPI Initialization
call
setup_mpi
(
myid
,
nprocs
)
gpuAvailable
=
check_for_gpu
(
myid
,
numberOfDevices
)
STATUS
=
0
#define REALCASE
#include "elpa_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: test_real2_double_precision"
)
#endif
!-------------------------------------------------------------------------------
! Selection of number of processor rows/columns
! We try to set up the grid square-like, i.e. start the search for possible
! divisors of nprocs with a number next to the square root of nprocs
! and decrement it until a divisor is found.
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)'
,
'Standard eigenvalue problem - REAL version'
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 elpa_get_communicators.
!
! mpierr = elpa_get_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 matrix for the eigenvalue problem
#ifdef HAVE_DETAILED_TIMINGS
call
timer
%
start
(
"set up matrix"
)
#endif
allocate
(
a
(
na_rows
,
na_cols
))
allocate
(
z
(
na_rows
,
na_cols
))
allocate
(
as
(
na_rows
,
na_cols
))
allocate
(
ev
(
na
))
call
prepare_matrix_double
(
na
,
myid
,
sc_desc
,
iseed
,
a
,
z
,
as
)
#ifdef HAVE_DETAILED_TIMINGS
call
timer
%
stop
(
"set up matrix"
)
#endif
! set print flag in elpa1
elpa_print_times
=
.true.
! All ELPA routines need MPI communicators for communicating within
! rows or columns of processes, these are set in elpa_get_communicators.
call
elpa_init
()
instance1
=
elpa_create
(
na
,
nev
,
na_rows
,
na_cols
,
nblk
)
! query some information
success_test
=
instance1
%
get_option
(
"use_qr"
,
use_qr
)
print
*
,
"At the moment use_qr is set to: "
,
use_qr
success_test
=
instance1
%
get_option
(
"solver"
,
solver
)
print
*
,
"At the moment solver is set to: "
,
trim
(
solver
)
! set some options
success_test
=
instance1
%
set_option
(
"solver"
,
"2stage"
)
success_test
=
instance1
%
set_option
(
"real_kernel"
,
REAL_ELPA_KERNEL_GENERIC
)
success_test
=
instance1
%
set_option
(
"timings"
,
"balanced"
)
success_test
=
instance1
%
set_option
(
"use_qr"
,
0
)
success_test
=
instance1
%
set_option
(
"use_gpu"
,
0
)