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Author: Patrick Heimbach |
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{\sf Automatic differentiation} (AD), also referred to as algorithmic |
{\sf Automatic differentiation} (AD), also referred to as algorithmic |
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(or, more loosely, computational) differentiation, involves |
(or, more loosely, computational) differentiation, involves |
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automatically deriving code to calculate |
automatically deriving code to calculate |
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%********************************************************************** |
%********************************************************************** |
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\section{Some basic algebra} |
\section{Some basic algebra} |
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\label{sec_ad_algebra} |
\label{sec_ad_algebra} |
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\begin{rawhtml} |
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<!-- CMIREDIR:sec_ad_algebra: --> |
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\end{rawhtml} |
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%********************************************************************** |
%********************************************************************** |
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Let $ \cal{M} $ be a general nonlinear, model, i.e. a |
Let $ \cal{M} $ be a general nonlinear, model, i.e. a |
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%********************************************************************** |
%********************************************************************** |
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\section{TLM and ADM generation in general} |
\section{TLM and ADM generation in general} |
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\label{sec_ad_setup_gen} |
\label{sec_ad_setup_gen} |
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\begin{rawhtml} |
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<!-- CMIREDIR:sec_ad_setup_gen: --> |
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\end{rawhtml} |
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%********************************************************************** |
%********************************************************************** |
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In this section we describe in a general fashion |
In this section we describe in a general fashion |
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the parts of the code that are relevant for automatic |
the parts of the code that are relevant for automatic |
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differentiation using the software tool TAMC. |
differentiation using the software tool TAF. |
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\input{part5/doc_ad_the_model} |
\input{part5/doc_ad_the_model} |
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The basic flow is depicted in \ref{fig:adthemodel}. |
The basic flow is depicted in \ref{fig:adthemodel}. |
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If the option {\tt ALLOW\_AUTODIFF\_TAMC} is defined, the driver routine |
If CPP option \texttt{ALLOW\_AUTODIFF\_TAMC} is defined, |
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the driver routine |
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{\it the\_model\_main}, instead of calling {\it the\_main\_loop}, |
{\it the\_model\_main}, instead of calling {\it the\_main\_loop}, |
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invokes the adjoint of this routine, {\it adthe\_main\_loop}, |
invokes the adjoint of this routine, {\it adthe\_main\_loop} |
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which is the toplevel routine in terms of reverse mode computation. |
(case \texttt{\#define ALLOW\_ADJOINT\_RUN}), or |
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The routine {\it adthe\_main\_loop} has been generated by TAMC. |
the tangent linear of this routine {\it g\_the\_main\_loop} |
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It contains both the forward integration of the full model, |
(case \texttt{\#define ALLOW\_TANGENTLINEAR\_RUN}), |
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which are the toplevel routines in terms of automatic differentiation. |
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The routines {\it adthe\_main\_loop} or {\it g\_the\_main\_loop} |
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are generated by TAF. |
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It contains both the forward integration of the full model, the |
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cost function calculation, |
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any additional storing that is required for efficient checkpointing, |
any additional storing that is required for efficient checkpointing, |
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and the reverse integration of the adjoint model. |
and the reverse integration of the adjoint model. |
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The structure of {\it adthe\_main\_loop} has been strongly |
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simplified for clarification; in particular, no checkpointing |
[DESCRIBE IN A SEPARATE SECTION THE WORKING OF THE TLM] |
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In Fig. \ref{fig:adthemodel} |
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the structure of {\it adthe\_main\_loop} has been strongly |
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simplified to focus on the essentials; in particular, no checkpointing |
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procedures are shown here. |
procedures are shown here. |
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Prior to the call of {\it adthe\_main\_loop}, the routine |
Prior to the call of {\it adthe\_main\_loop}, the routine |
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{\it ctrl\_unpack} is invoked to unpack the control vector |
{\it ctrl\_unpack} is invoked to unpack the control vector |
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the gradient has been computed via the adjoint |
the gradient has been computed via the adjoint |
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(cf. Section \ref{section_grdchk}). |
(cf. Section \ref{section_grdchk}). |
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%------------------------------------------------------------------ |
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\subsection{General setup |
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\label{section_ad_setup}} |
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In order to configure AD-related setups the following packages need |
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to be enabled: |
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{\it |
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\begin{table}[h!] |
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\begin{tabular}{l} |
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autodiff \\ |
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ctrl \\ |
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cost \\ |
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grdchk \\ |
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\end{tabular} |
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\end{table} |
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} |
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The packages are enabled by adding them to your experiment-specific |
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configuration file |
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{\it packages.conf} (see Section ???). |
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The following AD-specific CPP option files need to be customized: |
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% |
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\begin{itemize} |
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% |
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\item {\it ECCO\_CPPOPTIONS.h} \\ |
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This header file collects CPP options for the packages |
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{\it autodiff, cost, ctrl} as well as AD-unrelated options for |
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the external forcing package {\it exf}. |
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\footnote{NOTE: These options are not set in their package-specific |
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headers such as {\it COST\_CPPOPTIONS.h}, but are instead collected |
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in the single header file {\it ECCO\_CPPOPTIONS.h}. |
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The package-specific header files serve as simple |
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placeholders at this point.} |
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% |
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\item {\it tamc.h} \\ |
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This header configures the splitting of the time stepping loop |
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w.r.t. the 3-level checkpointing (see section ???). |
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% |
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\end{itemize} |
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%------------------------------------------------------------------ |
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\subsection{Building the AD code |
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\label{section_ad_build}} |
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The build process of an AD code is very similar to building |
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the forward model. However, depending on which AD code one wishes |
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to generate, and on which AD tool is available (TAF or TAMC), |
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the following {\tt make} targets are available: |
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\begin{table}[h!] |
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{\footnotesize |
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\begin{tabular}{ccll} |
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~ & {\it AD-target} & {\it output} & {\it description} \\ |
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\hline |
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\hline |
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(1) & {\tt <MODE><TOOL>only} & {\tt <MODE>\_<TOOL>\_output.f} & |
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generates code for $<$MODE$>$ using $<$TOOL$>$ \\ |
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~ & ~ & ~ & no {\tt make} dependencies on {\tt .F .h} \\ |
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~ & ~ & ~ & useful for compiling on remote platforms \\ |
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\hline |
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(2) & {\tt <MODE><TOOL>} & {\tt <MODE>\_<TOOL>\_output.f} & |
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generates code for $<$MODE$>$ using $<$TOOL$>$ \\ |
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~ & ~ & ~ & includes {\tt make} dependencies on {\tt .F .h} \\ |
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~ & ~ & ~ & i.e. input for $<$TOOL$>$ may be re-generated \\ |
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\hline |
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(3) & {\tt <MODE>all} & {\tt mitgcmuv\_<MODE>} & |
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generates code for $<$MODE$>$ using $<$TOOL$>$ \\ |
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~ & ~ & ~ & and compiles all code \\ |
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~ & ~ & ~ & (use of TAF is set as default) \\ |
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\hline |
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\hline |
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\end{tabular} |
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} |
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\end{table} |
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% |
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Here, the following placeholders are used |
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% |
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\begin{itemize} |
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% |
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\item [$<$TOOL$>$] |
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% |
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\begin{itemize} |
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% |
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\item {\tt TAF} |
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\item {\tt TAMC} |
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% |
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\end{itemize} |
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% |
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\item [$<$MODE$>$] |
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% |
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\begin{itemize} |
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% |
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\item {\tt ad} generates the adjoint model (ADM) |
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\item {\tt ftl} generates the tangent linear model (TLM) |
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\item {\tt svd} generates both ADM and TLM for \\ |
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singular value decomposition (SVD) type calculations |
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% |
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\end{itemize} |
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% |
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\end{itemize} |
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For example, to generate the adjoint model using TAF after routines ({\tt .F}) |
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or headers ({\tt .h}) have been modified, but without compilation, |
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type {\tt make adtaf}; |
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or, to generate the tangent linear model using TAMC without |
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re-generating the input code, type {\tt make ftltamconly}. |
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A typical full build process to generate the ADM via TAF would |
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look like follows: |
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\begin{verbatim} |
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% mkdir build |
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% cd build |
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% ../../../tools/genmake2 -mods=../code_ad |
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% make depend |
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% make adall |
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\end{verbatim} |
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%------------------------------------------------------------------ |
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\subsection{The AD build process in detail |
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\label{section_ad_build_detail}} |
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The {\tt make <MODE>all} target consists of the following procedures: |
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|
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\begin{enumerate} |
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% |
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\item |
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A header file {\tt AD\_CONFIG.h} is generated which contains a CPP option |
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on which code ought to be generated. Depending on the {\tt make} target, |
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the contents is |
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\begin{itemize} |
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\item |
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{\tt \#define ALLOW\_ADJOINT\_RUN} |
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\item |
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{\tt \#define ALLOW\_TANGENTLINEAR\_RUN} |
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\item |
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{\tt \#define ALLOW\_ECCO\_OPTIMIZATION} |
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\end{itemize} |
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% |
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\item |
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A single file {\tt <MODE>\_input\_code.f} is concatenated |
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consisting of all {\tt .f} files that are part of the list {\bf AD\_FILES} |
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and all {\tt .flow} files that are part of the list {\bf AD\_FLOW\_FILES}. |
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% |
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\item |
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The AD tool is invoked with the {\bf <MODE>\_<TOOL>\_FLAGS}. |
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The default AD tool flags in {\tt genmake2} can be overrwritten by |
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an {\tt adjoint\_options} file (similar to the platform-specific |
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{\tt build\_options}, see Section ???. |
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The AD tool writes the resulting AD code into the file |
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{\tt <MODE>\_input\_code\_ad.f} |
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% |
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\item |
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A short sed script {\tt adjoint\_sed} is applied to |
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{\tt <MODE>\_input\_code\_ad.f} |
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to reinstate {\bf myThid} into the CALL argument list of active file I/O. |
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The result is written to file {\tt <MODE>\_<TOOL>\_output.f}. |
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% |
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\item |
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All routines are compiled and an executable is generated |
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(see Table ???). |
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% |
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\end{enumerate} |
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|
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\subsubsection{The list AD\_FILES and {\tt .list} files} |
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Not all routines are presented to the AD tool. |
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Routines typically hidden are diagnostics routines which |
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do not influence the cost function, but may create |
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artificial flow dependencies such as I/O of active variables. |
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{\tt genmake2} generates a list (or variable) {\bf AD\_FILES} |
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which contains all routines that are shown to the AD tool. |
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This list is put together from all files with suffix {\tt .list} |
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that {\tt genmake2} finds in its search directories. |
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The list file for the core MITgcm routines is in {\tt model/src/} |
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is called {\tt model\_ad\_diff.list}. |
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Note that no wrapper routine is shown to TAF. These are either |
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not visible at all to the AD code, or hand-written AD code |
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is available (see next section). |
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Each package directory contains its package-specific |
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list file {\tt <PKG>\_ad\_diff.list}. For example, |
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{\tt pkg/ptracers/} contains the file {\tt ptracers\_ad\_diff.list}. |
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Thus, enabling a package will automatically extend the |
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{\bf AD\_FILES} list of {\tt genmake2} to incorporate the |
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package-specific routines. |
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Note that you will need to regenerate the {\tt Makefile} if |
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you enable a package (e.g. by adding it to {\tt packages.conf}) |
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and a {\tt Makefile} already exists. |
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\subsubsection{The list AD\_FLOW\_FILES and {\tt .flow} files} |
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|
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TAMC and TAF can evaluate user-specified directives |
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that start with a specific syntax ({\tt CADJ}, {\tt C\$TAF}, {\tt !\$TAF}). |
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The main categories of directives are STORE directives and |
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FLOW directives. Here, we are concerned with flow directives, |
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store directives are treated elsewhere. |
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|
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Flow directives enable the AD tool to evaluate how it should treat |
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routines that are 'hidden' by the user, i.e. routines which are |
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not contained in the {\bf AD\_FILES} list (see previous section), |
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but which are called in part of the code that the AD tool does see. |
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The flow directive tell the AD tool |
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% |
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\begin{itemize} |
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% |
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\item which subroutine arguments are input/output |
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\item which subroutine arguments are active |
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\item which subroutine arguments are required to compute the cost |
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\item which subroutine arguments are dependent |
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% |
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\end{itemize} |
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% |
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The syntax for the flow directives can be found in the |
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AD tool manuals. |
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|
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{\tt genmake2} generates a list (or variable) {\bf AD\_FLOW\_FILES} |
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which contains all files with suffix{\tt .flow} that it finds |
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in its search directories. |
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The flow directives for the core MITgcm routines of |
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{\tt eesupp/src/} and {\tt model/src/} |
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reside in {\tt pkg/autodiff/}. |
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This directory also contains hand-written adjoint code |
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for the MITgcm WRAPPER (see Section ???). |
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|
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Flow directives for package-specific routines are contained in |
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the corresponding package directories in the file |
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{\tt <PKG>\_ad.flow}, e.g. ptracers-specific directives are in |
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{\tt ptracers\_ad.flow}. |
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|
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\subsubsection{Store directives for 3-level checkpointing} |
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|
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The storing that is required at each period of the |
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3-level checkpointing is controled by three |
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top-level headers. |
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|
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\begin{verbatim} |
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do ilev_3 = 1, nchklev_3 |
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# include ``checkpoint_lev3.h'' |
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do ilev_2 = 1, nchklev_2 |
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# include ``checkpoint_lev2.h'' |
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do ilev_1 = 1, nchklev_1 |
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# include ``checkpoint_lev1.h'' |
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|
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... |
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|
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end do |
982 |
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end do |
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end do |
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\end{verbatim} |
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|
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All files {\tt checkpoint\_lev?.h} are contained in directory |
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{\tt pkg/autodiff/}. |
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|
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|
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\subsubsection{Changing the default AD tool flags: ad\_options files} |
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|
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|
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\subsubsection{Hand-written adjoint code} |
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|
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%------------------------------------------------------------------ |
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|
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\subsection{The cost function (dependent variable) |
\subsection{The cost function (dependent variable) |
998 |
\label{section_cost}} |
\label{section_cost}} |
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|
1011 |
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|
1012 |
\input{part5/doc_cost_flow} |
\input{part5/doc_cost_flow} |
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|
1014 |
\subsubsection{genmake and CPP options} |
\subsubsection{Enabling the package} |
1015 |
% |
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\begin{itemize} |
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% |
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|
\item |
|
1016 |
\fbox{ |
\fbox{ |
1017 |
\begin{minipage}{12cm} |
\begin{minipage}{12cm} |
1018 |
{\it genmake}, {\it CPP\_OPTIONS.h}, {\it ECCO\_CPPOPTIONS.h} |
{\it packages.conf}, {\it ECCO\_CPPOPTIONS.h} |
1019 |
\end{minipage} |
\end{minipage} |
1020 |
} |
} |
1021 |
\end{itemize} |
\begin{itemize} |
|
% |
|
|
The directory {\it pkg/cost} can be included to the |
|
|
compile list in 3 different ways (cf. Section \ref{???}): |
|
1022 |
% |
% |
1023 |
\begin{enumerate} |
\item |
1024 |
|
The package is enabled by adding {\it cost} to your file {\it packages.conf} |
1025 |
|
(see Section ???) |
1026 |
% |
% |
1027 |
\item {\it genmake}: \\ |
\item |
1028 |
Change the default settings in the file {\it genmake} by adding |
|
1029 |
{\bf cost} to the {\bf enable} list (not recommended). |
|
1030 |
% |
\end{itemize} |
|
\item {\it .genmakerc}: \\ |
|
|
Customize the settings of {\bf enable}, {\bf disable} which are |
|
|
appropriate for your experiment in the file {\it .genmakerc} |
|
|
and add the file to your compile directory. |
|
|
% |
|
|
\item genmake-options: \\ |
|
|
Call {\it genmake} with the option |
|
|
{\tt genmake -enable=cost}. |
|
1031 |
% |
% |
1032 |
\end{enumerate} |
|
1033 |
N.B.: In general the following packages ought to be enabled |
N.B.: In general the following packages ought to be enabled |
1034 |
simultaneously: {\it autodiff, cost, ctrl}. |
simultaneously: {\it autodiff, cost, ctrl}. |
1035 |
The basic CPP option to enable the cost function is {\bf ALLOW\_COST}. |
The basic CPP option to enable the cost function is {\bf ALLOW\_COST}. |