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// unit tests for checking LAMMPS MPI load balancing
#define LAMMPS_LIB_MPI 1
#include "atom.h"
#include "comm.h"
#include "domain.h"
#include "info.h"
#include "input.h"
#include "lammps.h"
#include "neighbor.h"
#include "timer.h"
#include <string>
#include "gmock/gmock.h"
#include "gtest/gtest.h"
#include "../testing/test_mpi_main.h"
using ::testing::ExitedWithCode;
using ::testing::HasSubstr;
using ::testing::StartsWith;
using ::testing::StrEq;
namespace LAMMPS_NS {
class MPILoadBalanceTest : public ::testing::Test {
public:
void command(const std::string &line) { lmp->input->one(line); }
protected:
const char *testbinary = "LAMMPSTest";
LAMMPS *lmp;
void SetUp() override
{
LAMMPS::argv args = {testbinary, "-log", "none", "-echo", "screen", "-nocite"};
if (!verbose) ::testing::internal::CaptureStdout();
lmp = new LAMMPS(args, MPI_COMM_WORLD);
InitSystem();
if (!verbose) ::testing::internal::GetCapturedStdout();
}
virtual void InitSystem()
{
command("boundary f f f");
command("units lj");
command("atom_style atomic");
command("atom_modify map yes");
command("region box block 0 20 0 20 0 20");
command("create_box 1 box");
command("mass 1 1.0");
command("pair_style lj/cut 2.5");
command("pair_coeff 1 1 1.0 1.0 2.5");
command("neighbor 0.3 bin");
command("neigh_modify every 20 delay 0 check no");
}
void TearDown() override
{
if (!verbose) ::testing::internal::CaptureStdout();
delete lmp;
lmp = nullptr;
if (!verbose) ::testing::internal::GetCapturedStdout();
}
};
TEST_F(MPILoadBalanceTest, grid_yz)
{
command("create_atoms 1 single 0 0 0");
command("create_atoms 1 single 0 0 5");
command("create_atoms 1 single 0 5 0");
command("create_atoms 1 single 0 5 5");
command("create_atoms 1 single 5 0 0");
command("create_atoms 1 single 5 0 5");
command("create_atoms 1 single 5 5 0");
command("create_atoms 1 single 5 5 5");
ASSERT_EQ(lmp->atom->natoms, 8);
ASSERT_EQ(lmp->comm->nprocs, 4);
// initial state
switch (lmp->comm->me) {
case 0:
ASSERT_EQ(lmp->atom->nlocal, 8);
break;
case 1:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 2:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 3:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
}
command("balance 1 x uniform y 0.125 z uniform");
// state after balance command
switch (lmp->comm->me) {
case 0:
ASSERT_EQ(lmp->atom->nlocal, 4);
break;
case 1:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 2:
ASSERT_EQ(lmp->atom->nlocal, 4);
break;
case 3:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
}
command("balance 1 x uniform y 0.125 z 0.125");
// state after second balance command
switch (lmp->comm->me) {
case 0:
ASSERT_EQ(lmp->atom->nlocal, 2);
break;
case 1:
ASSERT_EQ(lmp->atom->nlocal, 2);
break;
case 2:
ASSERT_EQ(lmp->atom->nlocal, 2);
break;
case 3:
ASSERT_EQ(lmp->atom->nlocal, 2);
break;
}
}
TEST_F(MPILoadBalanceTest, rcb)
{
command("comm_style tiled");
command("create_atoms 1 single 0 0 0");
command("create_atoms 1 single 0 0 5");
command("create_atoms 1 single 0 5 0");
command("create_atoms 1 single 0 5 5");
command("create_atoms 1 single 5 0 0");
command("create_atoms 1 single 5 0 5");
command("create_atoms 1 single 5 5 0");
command("create_atoms 1 single 5 5 5");
// initial state
switch (lmp->comm->me) {
case 0:
ASSERT_EQ(lmp->atom->nlocal, 8);
break;
case 1:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 2:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 3:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
}
command("balance 1 rcb");
// state after balance command
switch (lmp->comm->me) {
case 0:
ASSERT_EQ(lmp->atom->nlocal, 2);
break;
case 1:
ASSERT_EQ(lmp->atom->nlocal, 2);
break;
case 2:
ASSERT_EQ(lmp->atom->nlocal, 2);
break;
case 3:
ASSERT_EQ(lmp->atom->nlocal, 2);
break;
}
// box dimensions should have minimal size
double dx = lmp->domain->subhi[0] - lmp->domain->sublo[0];
double dy = lmp->domain->subhi[1] - lmp->domain->sublo[1];
double dz = lmp->domain->subhi[2] - lmp->domain->sublo[2];
ASSERT_GT(dx, lmp->neighbor->skin);
ASSERT_GT(dy, lmp->neighbor->skin);
ASSERT_GT(dz, lmp->neighbor->skin);
}
TEST_F(MPILoadBalanceTest, rcb_min_size)
{
GTEST_SKIP();
// TODO minimum domain size is not enforced right now
// skipping for now to allow other MPI tests to get merged
command("comm_style tiled");
command("create_atoms 1 single 0 0 0");
command("create_atoms 1 single 0 0 0.25");
command("create_atoms 1 single 0 0.25 0");
command("create_atoms 1 single 0 0.25 0.25");
command("create_atoms 1 single 0.25 0 0");
command("create_atoms 1 single 0.25 0 0.25");
command("create_atoms 1 single 0.25 0.25 0");
command("create_atoms 1 single 0.25 0.25 0.25");
// initial state
switch (lmp->comm->me) {
case 0:
ASSERT_EQ(lmp->atom->nlocal, 8);
break;
case 1:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 2:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 3:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
}
// this should fail and not change the boxes
// or keep them at a minimum size
command("balance 1 rcb");
// state after balance command
switch (lmp->comm->me) {
case 0:
ASSERT_EQ(lmp->atom->nlocal, 8);
break;
case 1:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 2:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
case 3:
ASSERT_EQ(lmp->atom->nlocal, 0);
break;
}
// box dimensions should have minimal size
double dx = lmp->domain->subhi[0] - lmp->domain->sublo[0];
double dy = lmp->domain->subhi[1] - lmp->domain->sublo[1];
double dz = lmp->domain->subhi[2] - lmp->domain->sublo[2];
ASSERT_GT(dx, lmp->neighbor->skin);
ASSERT_GT(dy, lmp->neighbor->skin);
ASSERT_GT(dz, lmp->neighbor->skin);
}
} // namespace LAMMPS_NS
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