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Commit 4ba3db72 authored by Carlo Camilloni's avatar Carlo Camilloni
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Performances: detailed timers

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...@@ -30,7 +30,7 @@ help in taking the most by using PLUMED for your simulations. ...@@ -30,7 +30,7 @@ help in taking the most by using PLUMED for your simulations.
- \subpage Neighbour - \subpage Neighbour
- \subpage Openmp - \subpage Openmp
- \subpage Secondary - \subpage Secondary
- \subpage Time
\page GMXGPU GROMACS and PLUMED with GPU \page GMXGPU GROMACS and PLUMED with GPU
...@@ -210,6 +210,15 @@ The metric used to calculate the distance from ideal secondary structure element ...@@ -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. 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. 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.
*/ */
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