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
Sys.which("gcc")
## gcc
## "/usr/bin/gcc"
First, we build a simple degradation model for a parent compound with one metabolite.
library("mkin")
SFO_SFO <- mkinmod(
parent = mkinsub("SFO", "m1"),
m1 = mkinsub("SFO"))
## Successfully compiled differential equation model from auto-generated C code.
We can compare the performance of the Eigenvalue based solution against the compiled version and the R implementation of the differential equations using the microbenchmark package.
library("microbenchmark")
mb.1 <- microbenchmark(
mkinfit(SFO_SFO, FOCUS_2006_D, solution_type = "deSolve", use_compiled = FALSE,
quiet = TRUE),
mkinfit(SFO_SFO, FOCUS_2006_D, solution_type = "eigen", quiet = TRUE),
mkinfit(SFO_SFO, FOCUS_2006_D, solution_type = "deSolve", quiet = TRUE),
times = 3, control = list(warmup = 1))
smb.1 <- summary(mb.1)[-1]
rownames(smb.1) <- c("deSolve, not compiled", "Eigenvalue based", "deSolve, compiled")
print(smb.1)
## min lq mean median uq
## deSolve, not compiled 6958.1752 7034.5639 7074.0173 7110.9526 7131.9383
## Eigenvalue based 978.8821 988.5741 1012.6283 998.2660 1029.5014
## deSolve, compiled 756.0280 767.9740 800.3639 779.9199 822.5318
## max neval
## deSolve, not compiled 7152.9240 3
## Eigenvalue based 1060.7367 3
## deSolve, compiled 865.1437 3
We see that using the compiled model is by a factor of 9.1 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:
smb.1["median"]/smb.1["deSolve, compiled", "median"]
## median
## deSolve, not compiled 9.117542
## Eigenvalue based 1.279960
## deSolve, compiled 1.000000
This evaluation is also taken from the example section of mkinfit.
FOMC_SFO <- mkinmod(
parent = mkinsub("FOMC", "m1"),
m1 = mkinsub( "SFO"))
## Successfully compiled differential equation model from auto-generated C code.
mb.2 <- microbenchmark(
mkinfit(FOMC_SFO, FOCUS_2006_D, use_compiled = FALSE, quiet = TRUE),
mkinfit(FOMC_SFO, FOCUS_2006_D, quiet = TRUE),
times = 3, control = list(warmup = 1))
smb.2 <- summary(mb.2)[-1]
rownames(smb.2) <- c("deSolve, not compiled", "deSolve, compiled")
print(smb.2)
## min lq mean median uq
## deSolve, not compiled 14.586587 14.604167 14.614147 14.621747 14.627927
## deSolve, compiled 1.428573 1.449463 1.459828 1.470352 1.475455
## max neval
## deSolve, not compiled 14.634107 3
## deSolve, compiled 1.480558 3
smb.2["median"]/smb.2["deSolve, compiled", "median"]
## median
## deSolve, not compiled 9.944383
## deSolve, compiled 1.000000
Here we get a performance benefit of a factor of 9.9 using the version of the differential equation model compiled from C code using the inline package!
This vignette was built with mkin 0.9.37 on
## R version 3.2.1 (2015-06-18)
## Platform: x86_64-pc-linux-gnu (64-bit)
## Running under: Debian GNU/Linux 8 (jessie)
## CPU model: Intel(R) Core(TM) i7-4710MQ CPU @ 2.50GHz