I think using openmp pragmas or even IMP_OMP_PRAGMA macros in your code, and calling cmake with -DCMAKE_CXX_FLAGS="-fopenmp" should do the trick.
Yannick
Le 17/07/14 05:18, Daniel Russel a écrit : > At one point at least there were openmp support within brownian > dynamics (for the particle perturbations) as well as restraint > evaluations. > > > On Wed, Jul 16, 2014 at 12:33 PM, Barak Raveh <barak.raveh@gmail.com > mailto:barak.raveh@gmail.com> wrote: > > So in principle this support can be added with IMP OpenMP pragma > macros, though since most of the computation time typically > involves the scoring function, it is probably wiser to parallelize > that part of the code. I know Daniel did some work in that > direction in the past but not sure where it's gotten, see > also https://integrativemodeling.org/nightly/doc/html/base_2thread__macros_8h.htm... > > > It should in theory be pretty simple to add OpenMP statements at > some key computations, based on profiling. > > > On Wed, Jul 16, 2014 at 12:28 PM, Ben Webb <ben@salilab.org > mailto:ben@salilab.org> wrote: > > On 07/16/2014 02:11 AM, Davide Baù wrote: > > I have set up a Brownian dynamics optimizer as follow: > > m = IMP.kernel.Model() > > # Brownian Dynamics > bd=IMP.atom.BrownianDynamics(m) > bd.set_maximum_time_step(1000) > > for i in range(1, nrounds): > e = bd.optimize(10) > > > Is it possible in IMP to parallelize the code to make it > faster? > > > If you really require the output of one optimization to be the > input of the next, then no, short of parallelizing the > restraint evaluation itself. Currently the only way to do that > is via OpenMP. > > If you can instead run nrounds optimizations starting from > different (e.g. random) starting conditions, parallelization > is trivial. You can use IMP.parallel or simply run multiple > copies of your script, e.g. with different random seeds. > > Ben > -- > ben@salilab.org mailto:ben@salilab.org > http://salilab.org/~ben/ http://salilab.org/%7Eben/ > "It is a capital mistake to theorize before one has data." > - Sir Arthur Conan Doyle > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org mailto:IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev > > > > > -- > Barak > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org mailto:IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev > > > > > _______________________________________________ > IMP-dev mailing list > IMP-dev@salilab.org > https://salilab.org/mailman/listinfo/imp-dev