Use DeviceBuffer in GPU update and NBNXM code

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

diff --git a/src/gromacs/mdlib/tests/settletestrunners.cu b/src/gromacs/mdlib/tests/settletestrunners.cu
index 0d2a3e116bc92c19852f6af5a2acccf3c0c6276b..7aab750547e6509cdbfadcfbcab24b0a68256e69 100644 (file)
--- a/src/gromacs/mdlib/tests/settletestrunners.cu
+++ b/src/gromacs/mdlib/tests/settletestrunners.cu
@@ -1,7 +1,7 @@
 /*
  * This file is part of the GROMACS molecular simulation package.
  *
- * Copyright (c) 2018,2019,2020, by the GROMACS development team, led by
+ * Copyright (c) 2018,2019,2020,2021, by the GROMACS development team, led by
  * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
  * and including many others, as listed in the AUTHORS file in the
  * top-level source directory and at http://www.gromacs.org.
@@ -52,6 +52,7 @@
 #include <vector>
 
 #include "gromacs/gpu_utils/devicebuffer.cuh"
+#include "gromacs/gpu_utils/gputraits.h"
 #include "gromacs/hardware/device_information.h"
 #include "gromacs/mdlib/settle_gpu.cuh"
 #include "gromacs/utility/unique_cptr.h"
@@ -85,30 +86,29 @@ void SettleDeviceTestRunner::applySettle(SettleTestData* testData,
 
     int numAtoms = testData->numAtoms_;
 
-    float3 *d_x, *d_xp, *d_v;
+    DeviceBuffer<Float3> d_x, d_xp, d_v;
 
-    float3* h_x  = (float3*)(as_rvec_array(testData->x_.data()));
-    float3* h_xp = (float3*)(as_rvec_array(testData->xPrime_.data()));
-    float3* h_v  = (float3*)(as_rvec_array(testData->v_.data()));
+    Float3* h_x  = gmx::asGenericFloat3Pointer(testData->x_);
+    Float3* h_xp = gmx::asGenericFloat3Pointer(testData->xPrime_);
+    Float3* h_v  = gmx::asGenericFloat3Pointer(testData->v_);
 
     allocateDeviceBuffer(&d_x, numAtoms, deviceContext);
     allocateDeviceBuffer(&d_xp, numAtoms, deviceContext);
     allocateDeviceBuffer(&d_v, numAtoms, deviceContext);
 
-    copyToDeviceBuffer(&d_x, (float3*)h_x, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
-    copyToDeviceBuffer(&d_xp, (float3*)h_xp, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
+    copyToDeviceBuffer(&d_x, h_x, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
+    copyToDeviceBuffer(&d_xp, h_xp, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
     if (updateVelocities)
     {
-        copyToDeviceBuffer(&d_v, (float3*)h_v, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
+        copyToDeviceBuffer(&d_v, h_v, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
     }
     settleGpu->apply(
             d_x, d_xp, updateVelocities, d_v, testData->reciprocalTimeStep_, calcVirial, testData->virial_, pbcAiuc);
 
-    copyFromDeviceBuffer((float3*)h_xp, &d_xp, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
+    copyFromDeviceBuffer(h_xp, &d_xp, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
     if (updateVelocities)
     {
-        copyFromDeviceBuffer(
-                (float3*)h_v, &d_v, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
+        copyFromDeviceBuffer(h_v, &d_v, 0, numAtoms, deviceStream, GpuApiCallBehavior::Sync, nullptr);
     }
 
     freeDeviceBuffer(&d_x);