From 4ba3db72ebf92cfca581bd44ab619462981eb2c8 Mon Sep 17 00:00:00 2001 From: Carlo Camilloni <carlo.camilloni@gmail.com> Date: Tue, 11 Oct 2016 12:30:35 +0200 Subject: [PATCH] Performances: detailed timers [makedoc] --- user-doc/Performances.txt | 13 +++++++++++-- 1 file changed, 11 insertions(+), 2 deletions(-) diff --git a/user-doc/Performances.txt b/user-doc/Performances.txt index 5a7e40648..9e11dbe1f 100644 --- a/user-doc/Performances.txt +++ b/user-doc/Performances.txt @@ -30,7 +30,7 @@ help in taking the most by using PLUMED for your simulations. - \subpage Neighbour - \subpage Openmp - \subpage Secondary - +- \subpage Time \page GMXGPU GROMACS and PLUMED with GPU @@ -210,6 +210,15 @@ The metric used to calculate the distance from ideal secondary structure element the performances, try to use TYPE=OPTIMAL or TYPE=OPTIMAL-FAST instead of TYPE=DRMSD. At last, try to reduce the number of residues in the calculation. - + +\page Time Time your Input + +Once you have prepared your plumed input file you can run a test simulation, or use driver, +to see which collective variable, function, bias or analisys is consuming more time and can +thus be the target for a different definition (use less atoms, change relevant parameters, +or just use somenthing else) + +To have an accurate timing of your input you can use the \ref DEBUG DETAILED_TIMERS. + */ -- GitLab