Add helper functions for setting up Nbnxm gpu object in nblib

[alexxy/gromacs.git] / api / nblib / tests / nbnxmsetup.cpp

diff --git a/api/nblib/tests/nbnxmsetup.cpp b/api/nblib/tests/nbnxmsetup.cpp
index a7bff00fdf72a013374580a90cdd89b8cc24c95c..369173467e5338b0037a43741eb187d40489477b 100644 (file)
--- a/api/nblib/tests/nbnxmsetup.cpp
+++ b/api/nblib/tests/nbnxmsetup.cpp
@@ -43,6 +43,7 @@
  */
 #include <cmath>
 
+#include "gromacs/hardware/device_management.h"
 #include "gromacs/mdtypes/forcerec.h"
 #include "gromacs/mdtypes/interaction_const.h"
 #include "gromacs/mdtypes/simulation_workload.h"
@@ -52,6 +53,7 @@
 #include "nblib/nbnxmsetuphelpers.h"
 
 #include "testutils/testasserts.h"
+#include "testutils/test_hardware_environment.h"
 
 namespace nblib
 {
@@ -191,6 +193,48 @@ TEST(NbnxmSetupTest, CanCreateNbnxmCPU)
     EXPECT_NO_THROW(createNbnxmCPU(numParticles, nbKernelOptions, numEnergyGroups, nonbondedParameters));
 }
 
+#if GMX_GPU_CUDA
+TEST(NbnxmSetupTest, canCreateKernelSetupGPU)
+{
+    NBKernelOptions    nbKernelOptions;
+    Nbnxm::KernelSetup kernelSetup = createKernelSetupGPU(nbKernelOptions.useTabulatedEwaldCorr);
+    EXPECT_EQ(kernelSetup.kernelType, Nbnxm::KernelType::Gpu8x8x8);
+    EXPECT_EQ(kernelSetup.ewaldExclusionType, Nbnxm::EwaldExclusionType::Analytical);
+}
+
+TEST(NbnxmSetupTest, CanCreateDeviceStreamManager)
+{
+    const auto& testDeviceList = gmx::test::getTestHardwareEnvironment()->getTestDeviceList();
+    for (const auto& testDevice : testDeviceList)
+    {
+        const DeviceInformation& deviceInfo = testDevice->deviceInfo();
+        setActiveDevice(deviceInfo);
+        gmx::SimulationWorkload simulationWork = createSimulationWorkloadGpu();
+        EXPECT_NO_THROW(createDeviceStreamManager(deviceInfo, simulationWork));
+    }
+}
+
+TEST(NbnxmSetupTest, CanCreateNbnxmGPU)
+{
+    const auto& testDeviceList = gmx::test::getTestHardwareEnvironment()->getTestDeviceList();
+    for (const auto& testDevice : testDeviceList)
+    {
+        const DeviceInformation& deviceInfo = testDevice->deviceInfo();
+        setActiveDevice(deviceInfo);
+        size_t                  numParticles = 1;
+        NBKernelOptions         nbKernelOptions;
+        std::vector<real>       nonbondedParameters = { 1, 1 };
+        gmx::SimulationWorkload simulationWork      = createSimulationWorkloadGpu();
+        interaction_const_t     interactionConst    = createInteractionConst(nbKernelOptions);
+        // set DeviceInformation and create the DeviceStreamManager
+        auto deviceStreamManager = createDeviceStreamManager(deviceInfo, simulationWork);
+        EXPECT_NO_THROW(createNbnxmGPU(
+                numParticles, nbKernelOptions, nonbondedParameters, interactionConst, *deviceStreamManager));
+    }
+}
+
+#endif
+
 } // namespace
 } // namespace test
 } // namespace nblib