change estimate for time to create an atom from 25ns to 1us (cf80495a) · Commits · 郑智淋 / lammps

src/create_atoms.cpp

+2 −2

Changes for src/create_atoms.cpp: 2 added lines, 2 removed lines.
Original line number	Diff line number	Diff line
		@@ -777,8 +777,8 @@ void CreateAtoms::add_lattice()
		const double * const * const basis = domain->lattice->basis;

		// rough estimate of total time used for create atoms.
		// one inner loop takes about 25ns on a typical desktop CPU core in 2019
		double testimate = 2.5e-8/3600.0; // convert seconds to hours
		// one inner loop iteration takes about 1us on a typical desktop CPU core in 2020
		double testimate = 1.0e-6/3600.0; // convert seconds to hours
		testimate *= static_cast<double>(khi-klo+1);
		testimate *= static_cast<double>(jhi-jlo+1);
		testimate *= static_cast<double>(ihi-ilo+1);