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summary of the add veff_op_test
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source/module_hamilt_pw/hamilt_pwdft/kernels/test/veff_op_test.cpp

Lines changed: 17 additions & 15 deletions
Original file line numberDiff line numberDiff line change
@@ -168,18 +168,20 @@ TEST_F(TestModuleHamiltVeff, veff_pw_spin_op_gpu_batch)
168168
std::vector<std::complex<double>> out1_spin(out_spin.size(), std::complex<double>(0, 0));
169169
std::vector<std::complex<double>> expected_out1_spin(out_spin.size(), std::complex<double>(0, 0));
170170

171-
std::vector<std::complex<double>> res = out_spin;
172-
std::vector<std::complex<double>> res1 = out1_spin;
173-
res.insert(res.end(), res.begin(), res.end());
174-
res1.insert(res1.end(), res1.begin(), res1.end());
171+
std::vector<std::complex<double>> res_batch = out_spin;
172+
std::vector<std::complex<double>> res1_batch = out1_spin;
173+
std::vector<std::complex<double>> expected_out_spin_batch = expected_out_spin;
174+
std::vector<std::complex<double>> expected_out1_spin_batch = expected_out1_spin;
175+
res_batch.insert(res_batch.end(), res_batch.begin(), res_batch.end());
176+
res1_batch.insert(res1_batch.end(), res1_batch.begin(), res1_batch.end());
175177
double* d_in = NULL;
176178
std::complex<double>* d_res = NULL, * d_res1 = NULL;
177179
resize_memory_double_op()(d_in, in_spin.size());
178-
resize_memory_complex_op()(d_res, res.size());
179-
resize_memory_complex_op()(d_res1, res1.size());
180+
resize_memory_complex_op()(d_res, res_batch.size());
181+
resize_memory_complex_op()(d_res1, res1_batch.size());
180182
syncmem_double_h2d_op()(d_in, in_spin.data(), in_spin.size());
181-
syncmem_complex_h2d_op()(d_res, res.data(), res.size());
182-
syncmem_complex_h2d_op()(d_res1, res1.data(), res1.size());
183+
syncmem_complex_h2d_op()(d_res, res_batch.data(), res_batch.size());
184+
syncmem_complex_h2d_op()(d_res1, res1_batch.data(), res1_batch.size());
183185

184186
const double * in_[4];
185187
for (int ii = 0; ii < 4; ii++) {
@@ -188,13 +190,13 @@ TEST_F(TestModuleHamiltVeff, veff_pw_spin_op_gpu_batch)
188190

189191
veff_gpu_op()(gpu_ctx, this->size, d_res, d_res1, in_ , 2);
190192

191-
syncmem_complex_d2h_op()(res.data(), d_res, res.size());
192-
syncmem_complex_d2h_op()(res1.data(), d_res1, res1.size());
193-
expected_out_spin.insert(expected_out_spin.end(), expected_out_spin.begin(), expected_out_spin.end());
194-
expected_out1_spin.insert(expected_out1_spin.end(), expected_out1_spin.begin(), expected_out1_spin.end());
195-
for (int ii = 0; ii < res.size(); ii++) {
196-
EXPECT_LT(fabs(res[ii] - expected_out_spin[ii]), 7.5e-5);
197-
EXPECT_LT(fabs(res1[ii] - expected_out1_spin[ii]), 6e-5);
193+
syncmem_complex_d2h_op()(res_batch.data(), d_res, res_batch.size());
194+
syncmem_complex_d2h_op()(res1_batch.data(), d_res1, res1_batch.size());
195+
expected_out_spin_batch.insert(expected_out_spin_batch.end(), expected_out_spin_batch.begin(), expected_out_spin_batch.end());
196+
expected_out1_spin_batch.insert(expected_out1_spin_batch.end(), expected_out1_spin_batch.begin(), expected_out1_spin_batch.end());
197+
for (int ii = 0; ii < res_batch.size(); ii++) {
198+
EXPECT_LT(fabs(res_batch[ii] - expected_out_spin_batch[ii]), 7.5e-5);
199+
EXPECT_LT(fabs(res1_batch[ii] - expected_out1_spin_batch[ii]), 6e-5);
198200
}
199201
delete_memory_double_op()(d_in);
200202
delete_memory_complex_op()(d_res);

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