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Merged
wanghan-iapcm merged 4 commits into from
Apr 7, 2026
Merged

perf(test): reduce redundant .pt2 compilations in GPU CI #5379

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b01947c
perf(test): reduce redundant .pt2 AOTInductor compilations in GPU CI
Apr 6, 2026
e81f8ba
perf(test): remove stale .pt2/.pte before regeneration in CI
Apr 6, 2026
b212945
fix: address reviewer comments on BUILD_PT_EXPT guards and wait propa…
Apr 6, 2026
44392f8
fix: add TearDownTestSuite to release CUDA resources before static de…
Apr 6, 2026
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17 changes: 14 additions & 3 deletions source/api_cc/tests/test_deeppot_a_fparam_aparam_nframes_ptexpt.cc
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Original file line number Diff line number Diff line change
Expand Up @@ -8,6 +8,7 @@
#include <vector>

#include "DeepPot.h"
#include "DeepPotPTExpt.h"
#include "test_utils.h"

template <class VALUETYPE>
Expand Down Expand Up @@ -113,13 +114,18 @@ class TestInferDeepPotAFparamAparamNFramesPtExpt : public ::testing::Test {
std::vector<double> expected_tot_e;
std::vector<VALUETYPE> expected_tot_v;

deepmd::DeepPot dp;
static deepmd::DeepPot dp;

static void SetUpTestSuite() {
#if defined(BUILD_PYTORCH) && BUILD_PT_EXPT
dp.init("../../tests/infer/fparam_aparam.pt2");
#endif
}

void SetUp() override {
#ifndef BUILD_PYTORCH
#if !defined(BUILD_PYTORCH) || !BUILD_PT_EXPT
GTEST_SKIP() << "Skip because PyTorch support is not enabled.";
#endif
dp.init("../../tests/infer/fparam_aparam.pt2");

natoms = expected_e.size() / nframes;
EXPECT_EQ(nframes * natoms * 3, expected_f.size());
Expand All @@ -142,8 +148,13 @@ class TestInferDeepPotAFparamAparamNFramesPtExpt : public ::testing::Test {
};

void TearDown() override {};

static void TearDownTestSuite() { dp = deepmd::DeepPot(); }
};

template <class VALUETYPE>
deepmd::DeepPot TestInferDeepPotAFparamAparamNFramesPtExpt<VALUETYPE>::dp;

TYPED_TEST_SUITE(TestInferDeepPotAFparamAparamNFramesPtExpt, ValueTypes);

TYPED_TEST(TestInferDeepPotAFparamAparamNFramesPtExpt, cpu_build_nlist) {
Expand Down
33 changes: 27 additions & 6 deletions source/api_cc/tests/test_deeppot_a_fparam_aparam_ptexpt.cc
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Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,7 @@
#include <vector>

#include "DeepPot.h"
#include "DeepPotPTExpt.h"
#include "neighbor_list.h"
#include "test_utils.h"

Expand Down Expand Up @@ -73,13 +74,18 @@ class TestInferDeepPotAFParamAParamPtExpt : public ::testing::Test {
double expected_tot_e;
std::vector<VALUETYPE> expected_tot_v;

deepmd::DeepPot dp;
static deepmd::DeepPot dp;

static void SetUpTestSuite() {
#if defined(BUILD_PYTORCH) && BUILD_PT_EXPT
dp.init("../../tests/infer/fparam_aparam.pt2");
#endif
}

void SetUp() override {
#ifndef BUILD_PYTORCH
#if !defined(BUILD_PYTORCH) || !BUILD_PT_EXPT
GTEST_SKIP() << "Skip because PyTorch support is not enabled.";
#endif
dp.init("../../tests/infer/fparam_aparam.pt2");

natoms = expected_e.size();
EXPECT_EQ(natoms * 3, expected_f.size());
Expand All @@ -98,8 +104,13 @@ class TestInferDeepPotAFParamAParamPtExpt : public ::testing::Test {
};

void TearDown() override {};

static void TearDownTestSuite() { dp = deepmd::DeepPot(); }
};

template <class VALUETYPE>
deepmd::DeepPot TestInferDeepPotAFParamAParamPtExpt<VALUETYPE>::dp;

TYPED_TEST_SUITE(TestInferDeepPotAFParamAParamPtExpt, ValueTypes);

TYPED_TEST(TestInferDeepPotAFParamAParamPtExpt, cpu_build_nlist) {
Expand Down Expand Up @@ -325,18 +336,28 @@ TYPED_TEST(TestInferDeepPotAFParamAParamPtExpt, cpu_lmp_nlist_atomic) {
template <class VALUETYPE>
class TestInferDeepPotNoDefaultFParamPtExpt : public ::testing::Test {
protected:
deepmd::DeepPot dp;
static deepmd::DeepPot dp;

static void SetUpTestSuite() {
#if defined(BUILD_PYTORCH) && BUILD_PT_EXPT
dp.init("../../tests/infer/fparam_aparam.pt2");
#endif
}

void SetUp() override {
#ifndef BUILD_PYTORCH
#if !defined(BUILD_PYTORCH) || !BUILD_PT_EXPT
GTEST_SKIP() << "Skip because PyTorch support is not enabled.";
#endif
dp.init("../../tests/infer/fparam_aparam.pt2");
};

void TearDown() override {};

static void TearDownTestSuite() { dp = deepmd::DeepPot(); }
};

template <class VALUETYPE>
deepmd::DeepPot TestInferDeepPotNoDefaultFParamPtExpt<VALUETYPE>::dp;

TYPED_TEST_SUITE(TestInferDeepPotNoDefaultFParamPtExpt, ValueTypes);

TYPED_TEST(TestInferDeepPotNoDefaultFParamPtExpt, no_default_fparam) {
Expand Down
17 changes: 14 additions & 3 deletions source/api_cc/tests/test_deeppot_default_fparam_ptexpt.cc
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Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -10,6 +10,7 @@
#include <vector>

#include "DeepPot.h"
#include "DeepPotPTExpt.h"
#include "neighbor_list.h"
#include "test_utils.h"

Expand Down Expand Up @@ -78,13 +79,18 @@ class TestInferDeepPotDefaultFParamPtExpt : public ::testing::Test {
double expected_tot_e;
std::vector<VALUETYPE> expected_tot_v;

deepmd::DeepPot dp;
static deepmd::DeepPot dp;

static void SetUpTestSuite() {
#if defined(BUILD_PYTORCH) && BUILD_PT_EXPT
dp.init("../../tests/infer/fparam_aparam_default.pt2");
#endif
}

void SetUp() override {
#ifndef BUILD_PYTORCH
#if !defined(BUILD_PYTORCH) || !BUILD_PT_EXPT
GTEST_SKIP() << "Skip because PyTorch support is not enabled.";
#endif
dp.init("../../tests/infer/fparam_aparam_default.pt2");

natoms = expected_e.size();
EXPECT_EQ(natoms * 3, expected_f.size());
Expand All @@ -103,8 +109,13 @@ class TestInferDeepPotDefaultFParamPtExpt : public ::testing::Test {
};

void TearDown() override {};

static void TearDownTestSuite() { dp = deepmd::DeepPot(); }
};

template <class VALUETYPE>
deepmd::DeepPot TestInferDeepPotDefaultFParamPtExpt<VALUETYPE>::dp;

TYPED_TEST_SUITE(TestInferDeepPotDefaultFParamPtExpt, ValueTypes);

TYPED_TEST(TestInferDeepPotDefaultFParamPtExpt, attrs) {
Expand Down
33 changes: 27 additions & 6 deletions source/api_cc/tests/test_deeppot_dpa1_ptexpt.cc
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Original file line number Diff line number Diff line change
Expand Up @@ -10,6 +10,7 @@
#include <vector>

#include "DeepPot.h"
#include "DeepPotPTExpt.h"
#include "neighbor_list.h"
#include "test_utils.h"

Expand Down Expand Up @@ -72,13 +73,18 @@ class TestInferDeepPotDpa1PtExpt : public ::testing::Test {
double expected_tot_e;
std::vector<VALUETYPE> expected_tot_v;

deepmd::DeepPot dp;
static deepmd::DeepPot dp;

static void SetUpTestSuite() {
#if defined(BUILD_PYTORCH) && BUILD_PT_EXPT
dp.init("../../tests/infer/deeppot_dpa1.pt2");
#endif
}

void SetUp() override {
#ifndef BUILD_PYTORCH
#if !defined(BUILD_PYTORCH) || !BUILD_PT_EXPT
GTEST_SKIP() << "Skip because PyTorch support is not enabled.";
#endif
dp.init("../../tests/infer/deeppot_dpa1.pt2");

natoms = expected_e.size();
EXPECT_EQ(natoms * 3, expected_f.size());
Expand All @@ -97,8 +103,13 @@ class TestInferDeepPotDpa1PtExpt : public ::testing::Test {
};

void TearDown() override {};

static void TearDownTestSuite() { dp = deepmd::DeepPot(); }
};

template <class VALUETYPE>
deepmd::DeepPot TestInferDeepPotDpa1PtExpt<VALUETYPE>::dp;

TYPED_TEST_SUITE(TestInferDeepPotDpa1PtExpt, ValueTypes);

TYPED_TEST(TestInferDeepPotDpa1PtExpt, cpu_build_nlist) {
Expand Down Expand Up @@ -218,13 +229,18 @@ class TestInferDeepPotDpa1PtExptNoPbc : public ::testing::Test {
double expected_tot_e;
std::vector<VALUETYPE> expected_tot_v;

deepmd::DeepPot dp;
static deepmd::DeepPot dp;

static void SetUpTestSuite() {
#if defined(BUILD_PYTORCH) && BUILD_PT_EXPT
dp.init("../../tests/infer/deeppot_dpa1.pt2");
#endif
}

void SetUp() override {
#ifndef BUILD_PYTORCH
#if !defined(BUILD_PYTORCH) || !BUILD_PT_EXPT
GTEST_SKIP() << "Skip because PyTorch support is not enabled.";
#endif
dp.init("../../tests/infer/deeppot_dpa1.pt2");

natoms = expected_e.size();
EXPECT_EQ(natoms * 3, expected_f.size());
Expand All @@ -243,8 +259,13 @@ class TestInferDeepPotDpa1PtExptNoPbc : public ::testing::Test {
};

void TearDown() override {};

static void TearDownTestSuite() { dp = deepmd::DeepPot(); }
};

template <class VALUETYPE>
deepmd::DeepPot TestInferDeepPotDpa1PtExptNoPbc<VALUETYPE>::dp;

TYPED_TEST_SUITE(TestInferDeepPotDpa1PtExptNoPbc, ValueTypes);

TYPED_TEST(TestInferDeepPotDpa1PtExptNoPbc, cpu_build_nlist) {
Expand Down
33 changes: 27 additions & 6 deletions source/api_cc/tests/test_deeppot_dpa2_ptexpt.cc
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Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -9,6 +9,7 @@
#include <vector>

#include "DeepPot.h"
#include "DeepPotPTExpt.h"
#include "neighbor_list.h"
#include "test_utils.h"

Expand Down Expand Up @@ -71,13 +72,18 @@ class TestInferDeepPotDpa2PtExpt : public ::testing::Test {
double expected_tot_e;
std::vector<VALUETYPE> expected_tot_v;

deepmd::DeepPot dp;
static deepmd::DeepPot dp;

static void SetUpTestSuite() {
#if defined(BUILD_PYTORCH) && BUILD_PT_EXPT
dp.init("../../tests/infer/deeppot_dpa2.pt2");
#endif
}

void SetUp() override {
#ifndef BUILD_PYTORCH
#if !defined(BUILD_PYTORCH) || !BUILD_PT_EXPT
GTEST_SKIP() << "Skip because PyTorch support is not enabled.";
#endif
dp.init("../../tests/infer/deeppot_dpa2.pt2");

natoms = expected_e.size();
EXPECT_EQ(natoms * 3, expected_f.size());
Expand All @@ -96,8 +102,13 @@ class TestInferDeepPotDpa2PtExpt : public ::testing::Test {
};

void TearDown() override {};

static void TearDownTestSuite() { dp = deepmd::DeepPot(); }
};

template <class VALUETYPE>
deepmd::DeepPot TestInferDeepPotDpa2PtExpt<VALUETYPE>::dp;

TYPED_TEST_SUITE(TestInferDeepPotDpa2PtExpt, ValueTypes);

TYPED_TEST(TestInferDeepPotDpa2PtExpt, cpu_build_nlist) {
Expand Down Expand Up @@ -492,13 +503,18 @@ class TestInferDeepPotDpa2PtExptNoPbc : public ::testing::Test {
double expected_tot_e;
std::vector<VALUETYPE> expected_tot_v;

deepmd::DeepPot dp;
static deepmd::DeepPot dp;

static void SetUpTestSuite() {
#if defined(BUILD_PYTORCH) && BUILD_PT_EXPT
dp.init("../../tests/infer/deeppot_dpa2.pt2");
#endif
}

void SetUp() override {
#ifndef BUILD_PYTORCH
#if !defined(BUILD_PYTORCH) || !BUILD_PT_EXPT
GTEST_SKIP() << "Skip because PyTorch support is not enabled.";
#endif
dp.init("../../tests/infer/deeppot_dpa2.pt2");

natoms = expected_e.size();
EXPECT_EQ(natoms * 3, expected_f.size());
Expand All @@ -517,8 +533,13 @@ class TestInferDeepPotDpa2PtExptNoPbc : public ::testing::Test {
};

void TearDown() override {};

static void TearDownTestSuite() { dp = deepmd::DeepPot(); }
};

template <class VALUETYPE>
deepmd::DeepPot TestInferDeepPotDpa2PtExptNoPbc<VALUETYPE>::dp;

TYPED_TEST_SUITE(TestInferDeepPotDpa2PtExptNoPbc, ValueTypes);

TYPED_TEST(TestInferDeepPotDpa2PtExptNoPbc, cpu_build_nlist) {
Expand Down
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