diff --git a/src/cltools/Benchmark.cpp b/src/cltools/Benchmark.cpp index 746d685683..afae904df5 100644 --- a/src/cltools/Benchmark.cpp +++ b/src/cltools/Benchmark.cpp @@ -484,7 +484,7 @@ int Benchmark::main(FILE* in, FILE*out,Communicator& pc) { log.link(log_dev_null.get()); } log.setLinePrefix("BENCH: "); - + log <<"Welcome to PLUMED benchmark\n"; std::vector kernels; // perform comparative analysis @@ -589,6 +589,7 @@ int Benchmark::main(FILE* in, FILE*out,Communicator& pc) { { std::string paths; parse("--kernel",paths); + log <<"Using --kernel=" << paths << "\n"; allpaths=Tools::getWords(paths,":"); } @@ -596,6 +597,7 @@ int Benchmark::main(FILE* in, FILE*out,Communicator& pc) { { std::string paths; parse("--plumed",paths); + log <<"Using --plumed=" << paths << "\n"; allplumed=Tools::getWords(paths,":"); } @@ -628,18 +630,26 @@ int Benchmark::main(FILE* in, FILE*out,Communicator& pc) { // read other flags: bool shuffled=false; parseFlag("--shuffled",shuffled); + if (shuffled) + log << "Using --shuffled\n"; int nf; parse("--nsteps",nf); + log << "Using --nsteps=" << nf << "\n"; unsigned natoms; parse("--natoms",natoms); - + log << "Using --natoms=" << natoms << "\n"; double maxtime; parse("--maxtime",maxtime); + log << "Using --maxtime=" << maxtime << "\n"; bool domain_decomposition=false; parseFlag("--domain-decomposition",domain_decomposition); + if (domain_decomposition) + log << "Using --domain-decomposition\n"; + if(pc.Get_size()>1) domain_decomposition=true; if(domain_decomposition) shuffled=true; double timeToSleep; parse("--sleep",timeToSleep); + log << "Using --sleep=" << timeToSleep << "\n"; std::vector shuffled_indexes; @@ -647,8 +657,9 @@ int Benchmark::main(FILE* in, FILE*out,Communicator& pc) { std::string atomicDistr; parse("--atom-distribution",atomicDistr); distribution = getAtomDistribution(atomicDistr); + log << "Using --atom-distribution=" << atomicDistr << "\n"; } - + log <<"Initializing the setup of the kernel(s)\n"; const auto initial_time=std::chrono::high_resolution_clock::now(); for(auto & k : kernels) { @@ -690,7 +701,6 @@ int Benchmark::main(FILE* in, FILE*out,Communicator& pc) { // trap signals: SignalHandlerGuard sigIntGuard(SIGINT, signalHandler); - for(int step=0; nf<0 || steppositions(pos,step,atomicGenerator);