forked from lijiext/lammps
reformat with clang-format
This commit is contained in:
parent
c7247aaaaf
commit
6acc69ddd2
|
@ -34,11 +34,10 @@ TEST(MPI, global_box)
|
|||
int boxflag;
|
||||
|
||||
::testing::internal::CaptureStdout();
|
||||
const char *args[] = {"LAMMPS_test", "-log", "none",
|
||||
"-echo", "screen", "-nocite"};
|
||||
const char *args[] = {"LAMMPS_test", "-log", "none", "-echo", "screen", "-nocite"};
|
||||
char **argv = (char **)args;
|
||||
int argc = sizeof(args) / sizeof(char *);
|
||||
void * lmp = lammps_open(argc, argv, MPI_COMM_WORLD, nullptr);
|
||||
void *lmp = lammps_open(argc, argv, MPI_COMM_WORLD, nullptr);
|
||||
lammps_command(lmp, "units lj");
|
||||
lammps_command(lmp, "atom_style atomic");
|
||||
lammps_command(lmp, "region box block 0 2 0 2 0 2");
|
||||
|
@ -78,11 +77,10 @@ TEST(MPI, sub_box)
|
|||
int boxflag;
|
||||
|
||||
::testing::internal::CaptureStdout();
|
||||
const char *args[] = {"LAMMPS_test", "-log", "none",
|
||||
"-echo", "screen", "-nocite"};
|
||||
const char *args[] = {"LAMMPS_test", "-log", "none", "-echo", "screen", "-nocite"};
|
||||
char **argv = (char **)args;
|
||||
int argc = sizeof(args) / sizeof(char *);
|
||||
void * lmp = lammps_open(argc, argv, MPI_COMM_WORLD, nullptr);
|
||||
void *lmp = lammps_open(argc, argv, MPI_COMM_WORLD, nullptr);
|
||||
lammps_command(lmp, "units lj");
|
||||
lammps_command(lmp, "atom_style atomic");
|
||||
lammps_command(lmp, "region box block 0 2 0 2 0 2");
|
||||
|
@ -99,8 +97,8 @@ TEST(MPI, sub_box)
|
|||
EXPECT_EQ(boxhi[1], 2.0);
|
||||
EXPECT_EQ(boxhi[2], 2.0);
|
||||
|
||||
double * sublo = (double*)lammps_extract_global(lmp, "sublo");
|
||||
double * subhi = (double*)lammps_extract_global(lmp, "subhi");
|
||||
double *sublo = (double *)lammps_extract_global(lmp, "sublo");
|
||||
double *subhi = (double *)lammps_extract_global(lmp, "subhi");
|
||||
|
||||
ASSERT_NE(sublo, nullptr);
|
||||
ASSERT_NE(subhi, nullptr);
|
||||
|
@ -119,17 +117,15 @@ TEST(MPI, sub_box)
|
|||
|
||||
class MPITest : public ::testing::Test {
|
||||
public:
|
||||
void command(const std::string &line) {
|
||||
lammps_command(lmp, line.c_str());
|
||||
}
|
||||
void command(const std::string &line) { lammps_command(lmp, line.c_str()); }
|
||||
|
||||
protected:
|
||||
const char * testbinary = "LAMMPSTest";
|
||||
const char *testbinary = "LAMMPSTest";
|
||||
void *lmp;
|
||||
|
||||
void SetUp() override
|
||||
{
|
||||
const char *args[] = { testbinary, "-log", "none", "-echo", "screen", "-nocite"};
|
||||
const char *args[] = {testbinary, "-log", "none", "-echo", "screen", "-nocite"};
|
||||
char **argv = (char **)args;
|
||||
int argc = sizeof(args) / sizeof(char *);
|
||||
if (!verbose) ::testing::internal::CaptureStdout();
|
||||
|
@ -138,7 +134,8 @@ protected:
|
|||
if (!verbose) ::testing::internal::GetCapturedStdout();
|
||||
}
|
||||
|
||||
virtual void InitSystem() {
|
||||
virtual void InitSystem()
|
||||
{
|
||||
command("units lj");
|
||||
command("atom_style atomic");
|
||||
command("atom_modify map yes");
|
||||
|
@ -169,43 +166,45 @@ protected:
|
|||
|
||||
#if !defined(LAMMPS_BIGBIG)
|
||||
|
||||
TEST_F(MPITest, gather) {
|
||||
TEST_F(MPITest, gather)
|
||||
{
|
||||
int64_t natoms = (int64_t)lammps_get_natoms(lmp);
|
||||
ASSERT_EQ(natoms, 32);
|
||||
int * p_nlocal = (int*)lammps_extract_global(lmp, "nlocal");
|
||||
int *p_nlocal = (int *)lammps_extract_global(lmp, "nlocal");
|
||||
int nlocal = *p_nlocal;
|
||||
EXPECT_LT(nlocal, 32);
|
||||
EXPECT_EQ(nlocal, 8);
|
||||
|
||||
// get the entire x on all procs
|
||||
double * x = new double[natoms * 3];
|
||||
lammps_gather(lmp, (char*)"x", 1, 3, x);
|
||||
double *x = new double[natoms * 3];
|
||||
lammps_gather(lmp, (char *)"x", 1, 3, x);
|
||||
|
||||
int * tag = (int*)lammps_extract_atom(lmp, "id");
|
||||
double ** x_local = (double**)lammps_extract_atom(lmp, "x");
|
||||
int *tag = (int *)lammps_extract_atom(lmp, "id");
|
||||
double **x_local = (double **)lammps_extract_atom(lmp, "x");
|
||||
|
||||
// each proc checks its local atoms
|
||||
for(int i = 0; i < nlocal; i++) {
|
||||
int64_t j = tag[i]-1;
|
||||
double * x_i = x_local[i];
|
||||
double * x_g = &x[j*3];
|
||||
for (int i = 0; i < nlocal; i++) {
|
||||
int64_t j = tag[i] - 1;
|
||||
double *x_i = x_local[i];
|
||||
double *x_g = &x[j * 3];
|
||||
EXPECT_DOUBLE_EQ(x_g[0], x_i[0]);
|
||||
EXPECT_DOUBLE_EQ(x_g[1], x_i[1]);
|
||||
EXPECT_DOUBLE_EQ(x_g[2], x_i[2]);
|
||||
}
|
||||
|
||||
delete [] x;
|
||||
delete[] x;
|
||||
}
|
||||
|
||||
TEST_F(MPITest, scatter) {
|
||||
int * p_nlocal = (int*)lammps_extract_global(lmp, "nlocal");
|
||||
TEST_F(MPITest, scatter)
|
||||
{
|
||||
int *p_nlocal = (int *)lammps_extract_global(lmp, "nlocal");
|
||||
int nlocal = *p_nlocal;
|
||||
double * x_orig = new double[3*nlocal];
|
||||
double ** x_local = (double**)lammps_extract_atom(lmp, "x");
|
||||
double *x_orig = new double[3 * nlocal];
|
||||
double **x_local = (double **)lammps_extract_atom(lmp, "x");
|
||||
|
||||
// make copy of original local x vector
|
||||
for(int i = 0; i < nlocal; i++) {
|
||||
int j = 3*i;
|
||||
for (int i = 0; i < nlocal; i++) {
|
||||
int j = 3 * i;
|
||||
x_orig[j] = x_local[i][0];
|
||||
x_orig[j + 1] = x_local[i][1];
|
||||
x_orig[j + 2] = x_local[i][2];
|
||||
|
@ -213,34 +212,35 @@ TEST_F(MPITest, scatter) {
|
|||
|
||||
// get the entire x on all procs
|
||||
int64_t natoms = (int64_t)lammps_get_natoms(lmp);
|
||||
double * x = new double[natoms * 3];
|
||||
lammps_gather(lmp, (char*)"x", 1, 3, x);
|
||||
double *x = new double[natoms * 3];
|
||||
lammps_gather(lmp, (char *)"x", 1, 3, x);
|
||||
|
||||
// shift all coordinates by 0.001
|
||||
const double delta = 0.001;
|
||||
for(int64_t i = 0; i < 3*natoms; i++) x[i] += delta;
|
||||
for (int64_t i = 0; i < 3 * natoms; i++)
|
||||
x[i] += delta;
|
||||
|
||||
// update positions of all atoms
|
||||
lammps_scatter(lmp, (char*)"x", 1, 3, x);
|
||||
delete [] x;
|
||||
lammps_scatter(lmp, (char *)"x", 1, 3, x);
|
||||
delete[] x;
|
||||
x = nullptr;
|
||||
|
||||
// get new nlocal and x_local
|
||||
p_nlocal = (int*)lammps_extract_global(lmp, "nlocal");
|
||||
p_nlocal = (int *)lammps_extract_global(lmp, "nlocal");
|
||||
nlocal = *p_nlocal;
|
||||
x_local = (double**)lammps_extract_atom(lmp, "x");
|
||||
x_local = (double **)lammps_extract_atom(lmp, "x");
|
||||
|
||||
ASSERT_EQ(nlocal, 8);
|
||||
|
||||
// each proc checks its local atoms for shift
|
||||
for(int i = 0; i < nlocal; i++) {
|
||||
double * x_a = x_local[i];
|
||||
double * x_b = &x_orig[i*3];
|
||||
EXPECT_DOUBLE_EQ(x_a[0], x_b[0]+delta);
|
||||
EXPECT_DOUBLE_EQ(x_a[1], x_b[1]+delta);
|
||||
EXPECT_DOUBLE_EQ(x_a[2], x_b[2]+delta);
|
||||
for (int i = 0; i < nlocal; i++) {
|
||||
double *x_a = x_local[i];
|
||||
double *x_b = &x_orig[i * 3];
|
||||
EXPECT_DOUBLE_EQ(x_a[0], x_b[0] + delta);
|
||||
EXPECT_DOUBLE_EQ(x_a[1], x_b[1] + delta);
|
||||
EXPECT_DOUBLE_EQ(x_a[2], x_b[2] + delta);
|
||||
}
|
||||
|
||||
delete [] x_orig;
|
||||
delete[] x_orig;
|
||||
}
|
||||
#endif
|
||||
|
|
Loading…
Reference in New Issue