CUDA Libraries and MPI+OpenMP+CUDA - Prace Training Portal

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CUDA VLOC_PSI_K serial – Computation flowkernel_init_psic_kPSIPSICFFT G!RcufftExecZ2Z(INVERSE)kernel_vec_prod_kkernel_save_hpsic_kHPSIPSICproductsFFT R!GcufftExecZ2Z(FORWARD)cublasZdscalFebruary 10, 2012 PRACE Winter School 201260
CUDA VLOC_PSI_K serial – CUFFT invocationcufftHandle p_global;qecheck_cufft_call( cufftPlan3d( &p_global, nr3s, nr2s, nr1s, CUFFT_Z2Z ) );tscale = 1.0 / (double) ( size_psic );if( cufftSetStream(p_global, vlocStreams[0]) != CUFFT_SUCCESS )exit( EXIT_FAILURE );for( ibnd = 0; ibnd < m; ibnd = ibnd + 1 ) {...qecheck_cufft_call( cufftExecZ2Z( p_global, psic_D, psic_D, CUFFT_INVERSE ) );...qecheck_cufft_call( cufftExecZ2Z( p_global, psic_D, psic_D, CUFFT_FORWARD ) );#if defined(__CUDA_3)cublasZdscal(size_psic, tscale, (cuDoubleComplex *) psic_D, 1);#elsecublasZdscal(vlocHandles[0], size_psic, &tscale, (cuDoubleComplex *)psic_D, 1);#endif...}qecheck_cufft_call( cufftDestroy(p_global) );Dimension reversed!{n 3 , n 2 , n 1 }, not {n 1 , n 2 , n 3 }Data always on the device!Result is an array, not a scalarFebruary 10, 2012 PRACE Winter School 201261
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PRACE Winter School 2012Hybrid Prog
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Acknowledgments first!• ICHEC, Ir
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CUDA library ecosystemNVIDIA CUDATo
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CUFFT - Code Sample (C)#define NX 2
Page 9 and 10: CUBLAS - Thunking versus non-Thunki
Page 11 and 12: CUBLAS - Code Sample (FORTRAN)PROGR
Page 13 and 14: use-case: compute 3D-FFT on multi-G
Page 15 and 16: fft3Dtest.cu - Code Snippet (C++)lo
Page 17 and 18: fft3Dtest.cu - Profiling12101 GPU2
Page 19 and 20: Pinned allocation - Code Sample (FO
Page 21 and 22: Pinned allocation - Code Sample (FO
Page 23 and 24: Consideration over PINNED memory4m3
Page 25: PHIGEMM - Code Snippet (C)for (iDev
Page 28 and 29: cuBLAS API: new versus Legacy• th
Page 30 and 31: Performance Measurement and Metrics
Page 32 and 33: Performance Measurement and Metrics
Page 34 and 35: MPI + CUDA, short summary1MPI commu
Page 36 and 37: Know what you have…Let’s forget
Page 38 and 39: Example: PLASMA, DPLASMA & MAGMAMAG
Page 40 and 41: Time-consuming steps in PWSCF• Ca
Page 42 and 43: GPU Developments• MPI-GPU binding
Page 44 and 45: MPI-GPU binding - Code Snippet (C)/
Page 46 and 47: GPU memory management - Code Snippe
Page 48 and 49: ADDUSDENS - Code Snippet (FORTRAN)D
Page 50 and 51: QVAN2 - Code Snippet (FORTRAN)DO lm
Page 52 and 53: CUDA ADDUSDENS, Considerations• C
Page 54 and 55: “new” CUDA ADDUSDENS - Code Sni
Page 56 and 57: CUDA NEWD - Code Snippet (C)for( ih
Page 58 and 59: CUDA NEWD - Code Snippet (C)...#if
Page 62 and 63: KERNEL_INIT_PSIC_K - Code Snippet (
Page 64 and 65: CUDA VLOC_PSI_K - parallelPSIPSICFF
Page 66 and 67: PWSCF GPU, results & benchmarks(ser
Page 68 and 69: WHEN and WHY more MPI processesper
Page 70: Thank you for your attention!No CPU
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CUDA Libraries and MPI+OpenMP+CUDA - Prace Training Portal

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