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

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ADDUSDENS – Code Snippet (FORTRAN)DO ih = 1, nh (nt)DO jh = ih, nh (nt)CALL qvan2 (ngm, ih, jh, nt, qmod, qgm, ylmk0)ijh = ijh + 1DO na = 1, natIF ( ityp(na) .eq. nt) THENDO is = 1, nspin_magDO ig = 1, ngmskk = eigts1 (mill (1,ig), na) * &eigts2 (mill (2,ig), na) * &eigts3 (mill (3,ig), na)aux(ig,is) = aux(ig,is) + qgm(ig)*skk*becsum(ijh,na,is)ENDDOENDDOENDIFENDDOENDDOENDDOFebruary 10, 2012 PRACE Winter School 201248
<strong>CUDA</strong> ADDUSDENS – Code Snippet (C)for( ih = 0, iih = 1; ih < nh[nt - 1]; ih++, iih++) {for( jh = ih, jjh = iih; jh < nh[nt - 1]; jh++, jjh++, ijh++ ) {qvan2_(ptr_ngm, &iih, &jjh, ptr_nt, qmod, qgm, ylmk0);/* Protective guard */cudaDeviceSynchronize();qecudaSafeCall(cudaMemcpy( qgm_D, qgm, sizeof( double ) * ngm * 2, cudaMemcpyHostToDevice ));}}kernel_compute_aux( eigts1_D, eigts2_D, eigts3_D, ig1_D,ig2_D, ig3_D, nr1, nr2, nr3, qgm_D, becsum_D, aux_D, na, nspin_mag, ngm,first_becsum, ijh, nat, ityp_D, nt );qecudaGetLastError("kernel launch failure");qecudaSafeCall( cudaMemcpy( aux, aux_D, sizeof( double ) * ( ngm * nspin_mag * 2 ),cudaMemcpyDeviceToHost ) );February 10, 2012 PRACE Winter School 201249
Page 1 and 2: PRACE Winter School 2012Hybrid Prog
Page 3 and 4: Acknowledgments first!• ICHEC, Ir
Page 5 and 6: CUDA library ecosystemNVIDIA CUDATo
Page 7 and 8: 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 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 60 and 61: CUDA VLOC_PSI_K serial - Computatio
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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