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tsoc
openmm
Commits
81cd9f5f
Commit
81cd9f5f
authored
Jan 18, 2011
by
Peter Eastman
Browse files
Fixed problems on compute level 1.2 GPUs
parent
ff5f5d5a
Changes
44
Show whitespace changes
Inline
Side-by-side
Showing
20 changed files
with
32 additions
and
31 deletions
+32
-31
CMakeLists.txt
CMakeLists.txt
+1
-0
platforms/cuda/src/kernels/kBrownianUpdate.cu
platforms/cuda/src/kernels/kBrownianUpdate.cu
+2
-2
platforms/cuda/src/kernels/kCCMA.cu
platforms/cuda/src/kernels/kCCMA.cu
+4
-4
platforms/cuda/src/kernels/kCalculateCDLJForces.h
platforms/cuda/src/kernels/kCalculateCDLJForces.h
+1
-1
platforms/cuda/src/kernels/kCalculateCDLJObcGbsaForces1.h
platforms/cuda/src/kernels/kCalculateCDLJObcGbsaForces1.h
+1
-1
platforms/cuda/src/kernels/kCalculateCMAPTorsionForces.cu
platforms/cuda/src/kernels/kCalculateCMAPTorsionForces.cu
+1
-1
platforms/cuda/src/kernels/kCalculateCustomAngleForces.cu
platforms/cuda/src/kernels/kCalculateCustomAngleForces.cu
+1
-1
platforms/cuda/src/kernels/kCalculateCustomBondForces.cu
platforms/cuda/src/kernels/kCalculateCustomBondForces.cu
+1
-1
platforms/cuda/src/kernels/kCalculateCustomExternalForces.cu
platforms/cuda/src/kernels/kCalculateCustomExternalForces.cu
+1
-1
platforms/cuda/src/kernels/kCalculateCustomTorsionForces.cu
platforms/cuda/src/kernels/kCalculateCustomTorsionForces.cu
+1
-1
platforms/cuda/src/kernels/kCalculateGBVIBornSum.h
platforms/cuda/src/kernels/kCalculateGBVIBornSum.h
+1
-1
platforms/cuda/src/kernels/kCalculateGBVIForces2.h
platforms/cuda/src/kernels/kCalculateGBVIForces2.h
+1
-1
platforms/cuda/src/kernels/kCalculateLocalForces.cu
platforms/cuda/src/kernels/kCalculateLocalForces.cu
+1
-1
platforms/cuda/src/kernels/kCalculateObcGbsaBornSum.h
platforms/cuda/src/kernels/kCalculateObcGbsaBornSum.h
+1
-1
platforms/cuda/src/kernels/kCalculateObcGbsaForces2.h
platforms/cuda/src/kernels/kCalculateObcGbsaForces2.h
+1
-1
platforms/cuda/src/kernels/kCalculatePME.cu
platforms/cuda/src/kernels/kCalculatePME.cu
+4
-4
platforms/cuda/src/kernels/kForces.cu
platforms/cuda/src/kernels/kForces.cu
+4
-4
platforms/cuda/src/kernels/kLangevinUpdate.cu
platforms/cuda/src/kernels/kLangevinUpdate.cu
+2
-2
platforms/cuda/src/kernels/kLangevinUpdate.h
platforms/cuda/src/kernels/kLangevinUpdate.h
+2
-2
platforms/cuda/src/kernels/kRandom.cu
platforms/cuda/src/kernels/kRandom.cu
+1
-1
No files found.
CMakeLists.txt
View file @
81cd9f5f
...
...
@@ -329,6 +329,7 @@ IF(CUDA_FOUND)
SET
(
FLAGS
""
)
# Note that cmake will insert semicolons between these item automatically...
SET
(
FLAGS
${
FLAGS
}
-gencode arch=compute_11,code=sm_11
)
SET
(
FLAGS
${
FLAGS
}
-gencode arch=compute_12,code=sm_12
)
SET
(
FLAGS
${
FLAGS
}
-gencode arch=compute_13,code=sm_13
)
SET
(
FLAGS
${
FLAGS
}
-gencode arch=compute_20,code=sm_20
)
SET
(
FLAGS
${
FLAGS
}
-use_fast_math
)
...
...
platforms/cuda/src/kernels/kBrownianUpdate.cu
View file @
81cd9f5f
...
...
@@ -54,7 +54,7 @@ void GetBrownianUpdateSim(gpuContext gpu)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_UPDATE_THREADS_PER_BLOCK
,
1
)
...
...
@@ -93,7 +93,7 @@ void kBrownianUpdatePart1(gpuContext gpu)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_UPDATE_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCCMA.cu
View file @
81cd9f5f
...
...
@@ -51,7 +51,7 @@ void GetCCMASim(gpuContext gpu)
__global__
void
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
@@ -76,7 +76,7 @@ kComputeCCMAConstraintDirections()
__global__
void
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
@@ -126,7 +126,7 @@ kComputeCCMAConstraintForces(float4* atomPositions, bool addOldPosition)
__global__
void
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
@@ -156,7 +156,7 @@ kMultiplyByCCMAConstraintMatrix()
__global__
void
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateCDLJForces.h
View file @
81cd9f5f
...
...
@@ -36,7 +36,7 @@
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_NONBOND_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_NONBOND_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_NONBOND_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateCDLJObcGbsaForces1.h
View file @
81cd9f5f
...
...
@@ -36,7 +36,7 @@
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_NONBOND_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_NONBOND_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_NONBOND_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateCMAPTorsionForces.cu
View file @
81cd9f5f
...
...
@@ -81,7 +81,7 @@ using namespace std;
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateCustomAngleForces.cu
View file @
81cd9f5f
...
...
@@ -84,7 +84,7 @@ void SetCustomAngleGlobalParams(const vector<float>& paramValues)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateCustomBondForces.cu
View file @
81cd9f5f
...
...
@@ -81,7 +81,7 @@ void SetCustomBondGlobalParams(const vector<float>& paramValues)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateCustomExternalForces.cu
View file @
81cd9f5f
...
...
@@ -85,7 +85,7 @@ void SetCustomExternalGlobalParams(const vector<float>& paramValues)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateCustomTorsionForces.cu
View file @
81cd9f5f
...
...
@@ -121,7 +121,7 @@ void SetCustomTorsionGlobalParams(const vector<float>& paramValues)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateGBVIBornSum.h
View file @
81cd9f5f
...
...
@@ -40,7 +40,7 @@
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_NONBOND_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_NONBOND_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_NONBOND_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateGBVIForces2.h
View file @
81cd9f5f
...
...
@@ -40,7 +40,7 @@
__global__
void
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_BORNFORCE2_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_BORNFORCE2_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_BORNFORCE2_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateLocalForces.cu
View file @
81cd9f5f
...
...
@@ -126,7 +126,7 @@ void GetCalculateLocalForcesSim(gpuContext gpu)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_LOCALFORCES_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateObcGbsaBornSum.h
View file @
81cd9f5f
...
...
@@ -33,7 +33,7 @@
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_NONBOND_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_NONBOND_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_NONBOND_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculateObcGbsaForces2.h
View file @
81cd9f5f
...
...
@@ -33,7 +33,7 @@
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_BORNFORCE2_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_BORNFORCE2_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_BORNFORCE2_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kCalculatePME.cu
View file @
81cd9f5f
...
...
@@ -95,7 +95,7 @@ inline __host__ __device__ float4 make_float4(int3 a)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
@@ -183,7 +183,7 @@ void kUpdateBsplines_kernel()
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
@@ -284,7 +284,7 @@ void kGridSpreadCharge_kernel()
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
@@ -325,7 +325,7 @@ void kReciprocalConvolution_kernel()
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
1024
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
512
,
1
)
#else
__launch_bounds__
(
256
,
1
)
...
...
platforms/cuda/src/kernels/kForces.cu
View file @
81cd9f5f
...
...
@@ -120,7 +120,7 @@ void kClearEnergy(gpuContext gpu)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_THREADS_PER_BLOCK
,
1
)
...
...
@@ -231,7 +231,7 @@ void kReduceBornSumAndForces(gpuContext gpu)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_THREADS_PER_BLOCK
,
1
)
...
...
@@ -301,7 +301,7 @@ double kReduceEnergy(gpuContext gpu)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_UPDATE_THREADS_PER_BLOCK
,
1
)
...
...
@@ -367,7 +367,7 @@ void kReduceObcGbsaBornForces_kernel()
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_UPDATE_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kLangevinUpdate.cu
View file @
81cd9f5f
...
...
@@ -104,7 +104,7 @@ void kLangevinUpdatePart2(gpuContext gpu)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_UPDATE_THREADS_PER_BLOCK
,
1
)
...
...
@@ -173,7 +173,7 @@ void kSelectLangevinStepSize(gpuContext gpu, float maxTimeStep)
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_UPDATE_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kLangevinUpdate.h
View file @
81cd9f5f
...
...
@@ -35,7 +35,7 @@
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_UPDATE_THREADS_PER_BLOCK
,
1
)
...
...
@@ -113,7 +113,7 @@ void kLangevinUpdatePart1_kernel()
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_UPDATE_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_UPDATE_THREADS_PER_BLOCK
,
1
)
...
...
platforms/cuda/src/kernels/kRandom.cu
View file @
81cd9f5f
...
...
@@ -57,7 +57,7 @@ extern __shared__ float3 sRand[];
__global__
#if (__CUDA_ARCH__ >= 200)
__launch_bounds__
(
GF1XX_RANDOM_THREADS_PER_BLOCK
,
1
)
#elif (__CUDA_ARCH__ >= 1
3
0)
#elif (__CUDA_ARCH__ >= 1
2
0)
__launch_bounds__
(
GT2XX_RANDOM_THREADS_PER_BLOCK
,
1
)
#else
__launch_bounds__
(
G8X_RANDOM_THREADS_PER_BLOCK
,
1
)
...
...
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