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diff --git a/docs/articles/compiled_models.Rmd b/docs/articles/compiled_models.Rmd new file mode 100644 index 00000000..8b5d731a --- /dev/null +++ b/docs/articles/compiled_models.Rmd @@ -0,0 +1,107 @@ +--- +title: "Performance benefit by using compiled model definitions in mkin" +author: "Johannes Ranke" +date: "`r Sys.Date()`" +output: + html_document: + theme: united + toc: true + toc_float: true + mathjax: null +vignette: > + %\VignetteIndexEntry{Performance benefit by using compiled model definitions in mkin} + %\VignetteEngine{knitr::rmarkdown} + %\VignetteEncoding{UTF-8} +--- + +```{r, include = FALSE} +library(knitr) +opts_chunk$set(tidy = FALSE, cache = FALSE) +``` + +## Model that can also be solved with Eigenvalues + +This evaluation is taken from the example section of mkinfit. When using an mkin version +equal to or greater than 0.9-36 and a C compiler (gcc) is available, you will see +a message that the model is being compiled from autogenerated C code when +defining a model using mkinmod. The `mkinmod()` function checks for presence of +the gcc compiler using + +```{r check_gcc} +Sys.which("gcc") +``` +First, we build a simple degradation model for a parent compound with one metabolite. + +```{r create_SFO_SFO} +library("mkin") +SFO_SFO <- mkinmod( + parent = mkinsub("SFO", "m1"), + m1 = mkinsub("SFO")) +``` + +We can compare the performance of the Eigenvalue based solution against the +compiled version and the R implementation of the differential equations using +the benchmark package. + + +```{r benchmark_SFO_SFO, fig.height = 3} +if (require(rbenchmark)) { + b.1 <- benchmark( + "deSolve, not compiled" = mkinfit(SFO_SFO, FOCUS_2006_D, + solution_type = "deSolve", + use_compiled = FALSE, quiet = TRUE), + "Eigenvalue based" = mkinfit(SFO_SFO, FOCUS_2006_D, + solution_type = "eigen", quiet = TRUE), + "deSolve, compiled" = mkinfit(SFO_SFO, FOCUS_2006_D, + solution_type = "deSolve", quiet = TRUE), + replications = 3) + print(b.1) + factor_SFO_SFO <- round(b.1["1", "relative"]) +} else { + factor_SFO_SFO <- NA + print("R package benchmark is not available") +} +``` + +We see that using the compiled model is by a factor of around +`r factor_SFO_SFO` +faster than using the R version with the default ode solver, and it is even +faster than the Eigenvalue based solution implemented in R which does not need +iterative solution of the ODEs. + + +## Model that can not be solved with Eigenvalues + +This evaluation is also taken from the example section of mkinfit. + +```{r benchmark_FOMC_SFO, fig.height = 3} +if (require(rbenchmark)) { + FOMC_SFO <- mkinmod( + parent = mkinsub("FOMC", "m1"), + m1 = mkinsub( "SFO")) + + b.2 <- benchmark( + "deSolve, not compiled" = mkinfit(FOMC_SFO, FOCUS_2006_D, + use_compiled = FALSE, quiet = TRUE), + "deSolve, compiled" = mkinfit(FOMC_SFO, FOCUS_2006_D, quiet = TRUE), + replications = 3) + print(b.2) + factor_FOMC_SFO <- round(b.2["1", "relative"]) +} else { + factor_FOMC_SFO <- NA + print("R package benchmark is not available") +} +``` + +Here we get a performance benefit of a factor of +`r factor_FOMC_SFO` +using the version of the differential equation model compiled from C code! + +This vignette was built with mkin `r packageVersion("mkin")` on + +```{r sessionInfo, echo = FALSE} +cat(capture.output(sessionInfo())[1:3], sep = "\n") +if(!inherits(try(cpuinfo <- readLines("/proc/cpuinfo")), "try-error")) { + cat(gsub("model name\t: ", "CPU model: ", cpuinfo[grep("model name", cpuinfo)[1]])) +} +``` |