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Commit 0894aaca authored by Andreas Marek's avatar Andreas Marek
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Update documentation

parent 6e2bac26
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USERS_GUIDE.md
View file @ 0894aaca
......@@ -79,7 +79,12 @@ Fortran synopsis
print *, "ELPA API version not supported"
stop
endif
elpa => elpa_allocate()
elpa => elpa_allocate(success)
if (success != ELPA_OK) then
! react on the error
! we urge every user to always check the error codes
! of all ELPA functions
endif
! set parameters decribing the matrix and it's MPI distribution
call elpa%set("na", na, success) ! size of the na x na matrix
......@@ -91,7 +96,7 @@ Fortran synopsis
call elpa%set("process_row", my_prow, success) ! row coordinate of MPI process
call elpa%set("process_col", my_pcol, success) ! column coordinate of MPI process
succes = elpa%setup()
success = elpa%setup()
! if desired, set any number of tunable run-time options
! look at the list of possible options as detailed later in
......@@ -126,6 +131,11 @@ C Synopsis:
}
handle = elpa_allocate(&error);
if (error != ELPA_OK) {
/* react on the error code */
/* we urge the user to always check the error codes of all ELPA functions */
}
/* Set parameters the matrix and it's MPI distribution */
elpa_set(handle, "na", na, &error); // size of the na x na matrix
......@@ -138,7 +148,7 @@ C Synopsis:
elpa_set(handle, "process_col", my_pcol, &error); // column coordinate of MPI process
/* Setup */
elpa_setup(handle);
error = elpa_setup(handle);
/* if desired, set any number of tunable run-time options */
/* look at the list of possible options as detailed later in
......@@ -284,7 +294,7 @@ Fortran synopsis
print *, "ELPA API version not supported"
stop
endif
elpa => elpa_allocate()
elpa => elpa_allocate(success)
! set parameters decribing the matrix and it's MPI distribution
call elpa%set("na", na, success)
......@@ -296,23 +306,23 @@ Fortran synopsis
call elpa%set("process_row", my_prow, success)
call elpa%set("process_col", my_pcol, success)
succes = elpa%setup()
success = elpa%setup()
tune_state => e%autotune_setup(ELPA_AUTOTUNE_MEDIUM, ELPA_AUTOTUNE_DOMAIN_REAL, error) ! prepare autotuning, set AUTOTUNE_LEVEL and the domain (real or complex)
tune_state => e%autotune_setup(ELPA_AUTOTUNE_MEDIUM, ELPA_AUTOTUNE_DOMAIN_REAL, success) ! prepare autotuning, set AUTOTUNE_LEVEL and the domain (real or complex)
! do the loop of subsequent ELPA calls which will be used to do the autotuning
do i=1, scf_cycles
unfinished = e%autotune_step(tune_state) ! check whether autotuning is finished; If not do next step
unfinished = e%autotune_step(tune_state, success) ! check whether autotuning is finished; If not do next step
if (.not.(unfinished)) then
print *,"autotuning finished at step ",i
endif
call e%eigenvectors(a, ev, z, error) ! do the normal computation
call e%eigenvectors(a, ev, z, success) ! do the normal computation
enddo
call e%autotune_set_best(tune_state) ! from now use the values found by autotuning
call e%autotune_set_best(tune_state, success) ! from now use the values found by autotuning
call elpa_autotune_deallocate(tune_state) ! cleanup autotuning object
```
......@@ -350,7 +360,7 @@ C Synopsis
// repeatedl call ELPA, e.g. in an scf iteration
for (i=0; i < scf_cycles; i++) {
unfinished = elpa_autotune_step(handle, autotune_handle); // check whether autotuning finished. If not do next step
unfinished = elpa_autotune_step(handle, autotune_handle, &error); // check whether autotuning finished. If not do next step
if (unfinished == 0) {
printf("ELPA autotuning finished in the %d th scf step \n",i);
......@@ -360,7 +370,7 @@ C Synopsis
/* do the normal computation */
elpa_eigenvectors(handle, a, ev, z, &error);
}
elpa_autotune_set_best(handle, autotune_handle); // from now on use values used by autotuning
elpa_autotune_set_best(handle, autotune_handle &error); // from now on use values used by autotuning
elpa_autotune_deallocate(autotune_handle); // cleanup autotuning
```
......
src/elpa.F90
View file @ 0894aaca
......@@ -109,16 +109,29 @@
!> class(elpa_t), pointer :: elpa
!> integer :: success
!>
!> ! We urge the user to always check the error code of all ELPA functions
!>
!> if (elpa_init(20181112) /= ELPA_OK) then
!> print *, "ELPA API version not supported"
!> stop
!> endif
!> elpa => elpa_allocate()
!> elpa => elpa_allocate(success)
!> if (success != ELPA_OK) then
!> print *,"Could not allocate ELPA"
!> endif
!>
!> ! set parameters decribing the matrix and it's MPI distribution
!> call elpa%set("na", na, success)
!> call elpa%set("nev", nev, success)
!> call elpa%set("na", na, success, success)
!> if (success != ELPA_OK) then
!> print *,"Could not set entry"
!> endif
!> call elpa%set("nev", nev, success, success)
!> ! check success code ...
!>
!> call elpa%set("local_nrows", na_rows, success)
!> ! check success code ...
!>
!> call elpa%set("local_ncols", na_cols, success)
!> call elpa%set("nblk", nblk, success)
!> call elpa%set("mpi_comm_parent", MPI_COMM_WORLD, success)
......@@ -126,7 +139,10 @@
!> call elpa%set("process_col", my_pcol, success)
!>
!> ! set up the elpa object
!> succes = elpa%setup()
!> success = elpa%setup()
!> if (succes != ELPA_OK) then
!> print *,"Could not setup ELPA object"
!> endif
!>
!> ! if desired, set tunable run-time options
!> ! here we want to use the 2-stage solver
......@@ -139,7 +155,7 @@
!> \code{.f90}
!>
!> ! if wanted you can store the settings and load them in another program
!> call elpa%store_settings("save_to_disk.txt")
!> call elpa%store_settings("save_to_disk.txt", success)
!>
!> ! use method solve to solve the eigenvalue problem to obtain eigenvalues
!> ! and eigenvectors
......@@ -161,6 +177,8 @@
!> elpa_t handle;
!> int error;
!>
!> /* We urge the user to always check the error code of all ELPA functions */
!>
!> if (elpa_init(20181113) != ELPA_OK) {
!> fprintf(stderr, "Error: ELPA API version not supported");
!> exit(1);
......@@ -168,6 +186,9 @@
!>
!>
!> handle = elpa_allocate(&error);
!> if (error != ELPA_OK) {
!> /* do sth. */
!> }
!>
!> /* Set parameters the matrix and it's MPI distribution */
!> elpa_set(handle, "na", na, &error);
......@@ -180,7 +201,7 @@
!> elpa_set(handle, "process_col", my_pcol, &error);
!>
!> /* Setup */
!> elpa_setup(handle);
!> error = elpa_setup(handle);
!>
!> /* if desired, set tunable run-time options */
!> /* here we want to use the 2-stage solver */
......@@ -217,7 +238,7 @@
!> print *, "ELPA API version not supported"
!> stop
!> endif
!> elpa => elpa_allocate()
!> elpa => elpa_allocate(success)
!>
!> ! set parameters decribing the matrix and it's MPI distribution
!> call elpa%set("na", na, success)
......@@ -230,10 +251,10 @@
!> call elpa%set("process_col", my_pcol, success)
!>
!> ! set up the elpa object
!> succes = elpa%setup()
!> success = elpa%setup()
!>
!> ! create autotune object
!> tune_state => elpa%autotune_setup(ELPA_AUTOTUNE_FAST, ELPA_AUTOTUNE_DOMAIN_REAL, error)
!> tune_state => elpa%autotune_setup(ELPA_AUTOTUNE_FAST, ELPA_AUTOTUNE_DOMAIN_REAL, success)
!>
!> ! you can set some options, these will be then FIXED for the autotuning step
!> ! if desired, set tunable run-time options
......@@ -241,29 +262,29 @@
!> call e%set("solver", ELPA_SOLVER_2STAGE, success)
!>
!> ! and set a specific kernel (must be supported on the machine)
!> call e%set("real_kernel", ELPA_2STAGE_REAL_AVX_BLOCK2)
!> call e%set("real_kernel", ELPA_2STAGE_REAL_AVX_BLOCK2, success)
!> \endcode
!> ... set and get all other options that are desired
!> \code{.f90}
!>
!> iter = 0
!> do while (elpa%autotune_step(tune_state))
!> do while (elpa%autotune_step(tune_state, success))
!> iter = iter + 1
!> call e%eigenvectors(a, ev, z, success)
!>
!> ! if needed you can save the autotune state at any point
!> ! and resume it
!> if (iter > MAX_ITER) then
!> call elpa%autotune_save_state(tune_state,"autotune_checkpoint.txt")
!> call elpa%autotune_save_state(tune_state,"autotune_checkpoint.txt", success)
!> exit
!> endif
!> enddo
!>
!> !set and print the finished autotuning
!> call elpa%autotune_set_best(tune_state)
!> call elpa%autotune_set_best(tune_state, success)
!>
!> ! store _TUNED_ ELPA object, if needed
!> call elpa%store("autotuned_object.txt")
!> call elpa%store("autotuned_object.txt", success)
!>
!> !deallocate autotune object
!> call elpa_autotune_deallocate(tune_state)
......
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