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[alexxy/gromacs.git] / src / gromacs / mdlib / tests / constrtestrunners.cu

diff --git a/src/gromacs/mdlib/tests/constrtestrunners.cu b/src/gromacs/mdlib/tests/constrtestrunners.cu
index dc1fb3ba3a74956d10cb25cf83cda08891dd0371..c62e67e94b151065af69960c42d3595613a542e1 100644 (file)
--- a/src/gromacs/mdlib/tests/constrtestrunners.cu
+++ b/src/gromacs/mdlib/tests/constrtestrunners.cu
@@ -68,11 +68,10 @@ namespace test
  * \param[in] testData        Test data structure.
  * \param[in] pbc             Periodic boundary data.
  */
-void applyLincsCuda(ConstraintsTestData *testData, t_pbc pbc)
+void applyLincsCuda(ConstraintsTestData* testData, t_pbc pbc)
 {
-    auto lincsCuda = std::make_unique<LincsCuda>(testData->ir_.nLincsIter,
-                                                 testData->ir_.nProjOrder,
-                                                 nullptr);
+    auto lincsCuda =
+            std::make_unique<LincsCuda>(testData->ir_.nLincsIter, testData->ir_.nProjOrder, nullptr);
 
     bool    updateVelocities = true;
     int     numAtoms         = testData->numAtoms_;
@@ -81,24 +80,28 @@ void applyLincsCuda(ConstraintsTestData *testData, t_pbc pbc)
     lincsCuda->set(testData->idef_, testData->md_);
     lincsCuda->setPbc(&pbc);
 
-    allocateDeviceBuffer(&d_x,  numAtoms, nullptr);
+    allocateDeviceBuffer(&d_x, numAtoms, nullptr);
     allocateDeviceBuffer(&d_xp, numAtoms, nullptr);
-    allocateDeviceBuffer(&d_v,  numAtoms, nullptr);
+    allocateDeviceBuffer(&d_v, numAtoms, nullptr);
 
-    copyToDeviceBuffer(&d_x, (float3*)(testData->x_.data()), 0, numAtoms, nullptr, GpuApiCallBehavior::Sync, nullptr);
-    copyToDeviceBuffer(&d_xp, (float3*)(testData->xPrime_.data()), 0, numAtoms, nullptr, GpuApiCallBehavior::Sync, nullptr);
+    copyToDeviceBuffer(&d_x, (float3*)(testData->x_.data()), 0, numAtoms, nullptr,
+                       GpuApiCallBehavior::Sync, nullptr);
+    copyToDeviceBuffer(&d_xp, (float3*)(testData->xPrime_.data()), 0, numAtoms, nullptr,
+                       GpuApiCallBehavior::Sync, nullptr);
     if (updateVelocities)
     {
-        copyToDeviceBuffer(&d_v, (float3*)(testData->v_.data()), 0, numAtoms, nullptr, GpuApiCallBehavior::Sync, nullptr);
+        copyToDeviceBuffer(&d_v, (float3*)(testData->v_.data()), 0, numAtoms, nullptr,
+                           GpuApiCallBehavior::Sync, nullptr);
     }
-    lincsCuda->apply(d_x, d_xp,
-                     updateVelocities, d_v, testData->invdt_,
-                     testData->computeVirial_, testData->virialScaled_);
+    lincsCuda->apply(d_x, d_xp, updateVelocities, d_v, testData->invdt_, testData->computeVirial_,
+                     testData->virialScaled_);
 
-    copyFromDeviceBuffer((float3*)(testData->xPrime_.data()), &d_xp, 0, numAtoms, nullptr, GpuApiCallBehavior::Sync, nullptr);
+    copyFromDeviceBuffer((float3*)(testData->xPrime_.data()), &d_xp, 0, numAtoms, nullptr,
+                         GpuApiCallBehavior::Sync, nullptr);
     if (updateVelocities)
     {
-        copyFromDeviceBuffer((float3*)(testData->v_.data()), &d_v, 0, numAtoms, nullptr, GpuApiCallBehavior::Sync, nullptr);
+        copyFromDeviceBuffer((float3*)(testData->v_.data()), &d_v, 0, numAtoms, nullptr,
+                             GpuApiCallBehavior::Sync, nullptr);
     }
 
     freeDeviceBuffer(&d_x);