@@ -22,7 +22,7 @@ IF AND ONLY IF *ELPA* has been build with support of this legacy interface.
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@@ -22,7 +22,7 @@ IF AND ONLY IF *ELPA* has been build with support of this legacy interface.
If you want to use the legacy interface, please look to section "B) Using the legacy API of the *ELPA* library.
If you want to use the legacy interface, please look to section "B) Using the legacy API of the *ELPA* library.
The legacy API defines all the functionallity as it has been defined in *ELPA* release 2016.11.011. Note, however,
The legacy API defines all the functionality as it has been defined in *ELPA* release 2016.11.011. Note, however,
that all future features of *ELPA* will only be accessible via the new API defined in release 2017.05.001 or later.
that all future features of *ELPA* will only be accessible via the new API defined in release 2017.05.001 or later.
## A) Using the final API definition of the *ELPA* library ##
## A) Using the final API definition of the *ELPA* library ##
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@@ -89,7 +89,7 @@ The *ELPA* library consists of two main parts:
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@@ -89,7 +89,7 @@ The *ELPA* library consists of two main parts:
Both variants of the *ELPA* solvers are available for real or complex singe and double precision valued matrices.
Both variants of the *ELPA* solvers are available for real or complex singe and double precision valued matrices.
Thus *ELPA* provides the following user functions (see man pages or [online] (http://elpa.mpcdf.mpg.de/html/Documentation/ELPA-2016.11.001/html/index.html) for details):
Thus *ELPA* provides the following user functions (see man pages or [online] (http://elpa.mpcdf.mpg.de/html/Documentation/ELPA-2017.11.001/html/index.html) for details):
- elpa_get_communicators : set the row / column communicators for *ELPA*
- elpa_get_communicators : set the row / column communicators for *ELPA*
- elpa_solve_evp_complex_1stage_{single|double} : solve a {single|double} precision complex eigenvalue proplem with the *ELPA 1stage* solver
- elpa_solve_evp_complex_1stage_{single|double} : solve a {single|double} precision complex eigenvalue proplem with the *ELPA 1stage* solver
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@@ -106,7 +106,7 @@ which *ELPA 2stage* compute kernels have been installed and which default kernel
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@@ -106,7 +106,7 @@ which *ELPA 2stage* compute kernels have been installed and which default kernel
If you want to solve an eigenvalue problem with *ELPA*, you have to decide whether you
If you want to solve an eigenvalue problem with *ELPA*, you have to decide whether you
want to use *ELPA 1stage* or *ELPA 2stage* solver. Normally, *ELPA 2stage* is the better
want to use *ELPA 1stage* or *ELPA 2stage* solver. Normally, *ELPA 2stage* is the better
choice since it is faster, but there a matrix dimensions where *ELPA 1stage* is supperior.
choice since it is faster, but there are matrix dimensions where *ELPA 1stage* is superior.
Independent of the choice of the solver, the concept of calling *ELPA* is always the same:
Independent of the choice of the solver, the concept of calling *ELPA* is always the same:
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@@ -121,7 +121,7 @@ To solve a Eigenvalue problem of this matrix with *ELPA*, one has
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@@ -121,7 +121,7 @@ To solve a Eigenvalue problem of this matrix with *ELPA*, one has
Here is a very simple MPI code snippet for using *ELPA 1stage*: For the definition of all variables
Here is a very simple MPI code snippet for using *ELPA 1stage*: For the definition of all variables
please have a look at the man pages and/or the online documentation (see above). A full version
please have a look at the man pages and/or the online documentation (see above). A full version
of a simple example program can be found in ./test_project/src.
of a simple example program can be found in ./test_project_1stage_legacy_api/src.
! All ELPA routines need MPI communicators for communicating within
! All ELPA routines need MPI communicators for communicating within
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@@ -309,7 +309,7 @@ The *ELPA 2stage* solver can be used in the same manner, as the *ELPA 1stage* so
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@@ -309,7 +309,7 @@ The *ELPA 2stage* solver can be used in the same manner, as the *ELPA 1stage* so
However, the 2 stage solver, can be used with different compute kernels, which offers
However, the 2 stage solver, can be used with different compute kernels, which offers
more possibilities for configuration.
more possibilities for configuration.
It is recommended to first call the utillity program
It is recommended to first call the utility program
elpa2_print_kernels
elpa2_print_kernels
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@@ -325,13 +325,13 @@ the default kernels will be set.
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@@ -325,13 +325,13 @@ the default kernels will be set.
##### Setting the *ELPA 2stage* compute kernels with environment variables#####
##### Setting the *ELPA 2stage* compute kernels with environment variables#####
If the *ELPA* installation allows setting ther compute kernels with enviroment variables,
If the *ELPA* installation allows setting their compute kernels with environment variables,
setting the variables "REAL_ELPA_KERNEL" and "COMPLEX_ELPA_KERNEL" will set the compute
setting the variables "REAL_ELPA_KERNEL" and "COMPLEX_ELPA_KERNEL" will set the compute
kernels. The environment variable setting will take precedence over all other settings!
kernels. The environment variable setting will take precedence over all other settings!
The utility program "elpa2_print_kernels" can list which kernels are available and which
The utility program "elpa2_print_kernels" can list which kernels are available and which
would be choosen. This reflects, as well the setting of the default kernel or the settings
would be chosen. This reflects the setting of the default kernel as well as the setting
with the environment variables
with the environment variables.
##### Setting the *ELPA 2stage* compute kernels with API calls#####
##### Setting the *ELPA 2stage* compute kernels with API calls#####
