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Commit b9961bd0 authored by Andreas Marek's avatar Andreas Marek
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Playing with an interface

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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.