240 lines
8.2 KiB
C++
240 lines
8.2 KiB
C++
#include <mpi.h>
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#include <iostream>
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#include <cassert>
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#include <string.h>
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#include <sstream>
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#include <string>
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#include <vector>
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#include <cuda.h>
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#include <chrono>
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#include <map>
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#include <cstdlib>
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#include <unistd.h>
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#include <CLI11.hpp>
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#define CUBLASAPI
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#include <cublas_api.h>
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#include <cublas_v2.h>
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struct Timer {
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using Clock = std::chrono::high_resolution_clock;
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using Event = std::chrono::time_point<Clock>;
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std::chrono::duration<double> duration;
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Event _start;
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inline void start() noexcept { _start = Clock::now(); }
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inline void stop() noexcept { duration += Clock::now() - _start; }
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inline void clear() noexcept { duration *= 0; }
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inline double count() const noexcept { return duration.count(); }
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};
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using Timings = std::map<std::string, Timer>;
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#define _FORMAT(_fmt, ...) \
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([&] (void) -> std::string { \
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int _sz = std::snprintf(nullptr, 0, _fmt, __VA_ARGS__); \
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std::vector<char> _out(_sz + 1); \
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std::snprintf(&_out[0], _out.size(), _fmt, __VA_ARGS__); \
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return std::string(_out.data()); \
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})()
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#define _CHECK_CUDA_SUCCESS(message, ...) \
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do { \
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CUresult result = __VA_ARGS__; \
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printf("doing %s\n", message); \
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if (result != CUDA_SUCCESS) { \
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printf("\t!!CUDA_ERROR(%d): %s:%d %s\n", \
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result, \
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__FILE__, \
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__LINE__, \
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message); \
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return 1; \
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} \
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} while (0)
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#define _CHECK_CUBLAS_SUCCESS(message, ...) \
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do { \
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cublasStatus_t result = __VA_ARGS__; \
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if (result != 0) { \
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printf("\t!!CUBLAS_ERROR(%d): %s:%d %s\n", \
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result, \
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__FILE__, \
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__LINE__, \
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message); \
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return 1; \
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} \
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} while (0)
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int main(int argc, char** argv) {
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using std::vector;
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MPI_Init(NULL, NULL);
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int rank, np, ngcards;
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size_t no(10), nv(no * 10), its(2);
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bool barrier = false;
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MPI_Comm_rank(MPI_COMM_WORLD, &rank);
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MPI_Comm_size(MPI_COMM_WORLD, &np);
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CLI::App app{"Main bench for atrip"};
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app.add_option("--no", no, "Occupied orbitals");
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app.add_option("--nv", nv, "Virtual orbitals");
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app.add_option("--its", its, "Number of iterations to be done");
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app.add_option("--barrier", barrier, "Call a MPI_Barrier in every iteration?");
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CLI11_PARSE(app, argc, argv);
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const size_t oo = no * no, ooo = no * oo;
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Timings timings;
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MPI_Barrier(MPI_COMM_WORLD);
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_CHECK_CUDA_SUCCESS("init for cuda",
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cuInit(0));
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_CHECK_CUDA_SUCCESS("get ncards",
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cuDeviceGetCount(&ngcards));
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CUcontext ctx;
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CUdevice dev;
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char hostname[256];
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gethostname(hostname, 256);
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printf("%s with rank %d gets card %d\n",
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hostname,
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rank,
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rank % ngcards);
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// set contexts
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_CHECK_CUDA_SUCCESS("device get", cuDeviceGet(&dev, rank % ngcards));
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_CHECK_CUDA_SUCCESS("creating context", cuCtxCreate(&ctx, 0, dev));
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_CHECK_CUDA_SUCCESS("setting context", cuCtxSetCurrent(ctx));
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_CHECK_CUDA_SUCCESS("synchronizing", cuCtxSynchronize());
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MPI_Barrier(MPI_COMM_WORLD);
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using host_slice_t = vector<double>;
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vector<size_t> sizes = {nv * oo, nv * no , oo, oo * no, oo * no};
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vector<CUdeviceptr> P_phh(3), P_ph(6) , H_hh(3), H_hhh(3), T_hhh(1);
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vector<vector<CUdeviceptr>*> slices_d = {&P_phh, &P_ph , &H_hh, &H_hhh, &T_hhh};
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vector<vector<host_slice_t>> slices_h(slices_d.size());
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{
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int i = -1;
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for (auto& v: slices_d) {
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i++;
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for (auto& ptr: *v) {
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_CHECK_CUDA_SUCCESS("malloc",
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cuMemAlloc(&ptr,
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sizes[i] * sizeof(double)));
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slices_h[i].push_back(std::move(std::vector<double>(sizes[i])));
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}
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}
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}
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const double one = 1.0, zero = 0.0;
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printf("its: %d\n", its);
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printf("barrier: %d\n", barrier);
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printf("no: %ld\n", no);
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printf("nv: %ld\n", nv);
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printf("SIZE %f GB\n", (3 * nv * oo
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+ 6 * oo * nv
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+ 3 * oo
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+ 3 * ooo
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+ 1 * ooo
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) * sizeof(double) / 1024.0 / 1024.0 / 1024.0);
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std::map<std::string, double> tflopss
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{{ "dgemm", ooo * (no + nv) * 6.0 * 2.0 * its / 1e12},
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{ "holes", ooo * no * 6.0 * 2.0 * its / 1e12},
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{ "particles", ooo * nv * 6.0 * 2.0 * its / 1e12}};
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cublasHandle_t handle;
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_CHECK_CUBLAS_SUCCESS("handle create", cublasCreate(&handle));
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printf("handle %ld\n", handle);
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timings["dgemm"].start();
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for (size_t i = 0; i < its; i++) {
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if (barrier) {
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MPI_Barrier(MPI_COMM_WORLD);
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timings["memcpy"].start();
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for (size_t _s = 0; _s < slices_d.size(); _s++) {
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// for (size_t _b = 0; _b < slices_h[_s].size(); _b++) {
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for (size_t _b = 0; _b < 1 ; _b++) {
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auto device = (*slices_d[_s])[_b];
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auto host = slices_h[_s][_b].data();
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cuMemcpyHtoD(device, host, sizes[_s]);
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}
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}
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timings["memcpy"].stop();
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}
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timings["holes"].start();
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for (size_t j = 0; j < 3; j++) {
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_CHECK_CUBLAS_SUCCESS(" > 'geming ...",
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cublasDgemm(handle,
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CUBLAS_OP_N,
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CUBLAS_OP_N,
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oo, no, no,
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&one,
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(double*)H_hhh[j], oo,
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(double*)H_hh[j], no,
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&zero,
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(double*)T_hhh[0], oo));
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_CHECK_CUBLAS_SUCCESS(" > 'geming ...",
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cublasDgemm(handle,
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CUBLAS_OP_N,
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CUBLAS_OP_T,
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oo, no, no,
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&one,
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(double*)H_hhh[j], oo,
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(double*)H_hh[j], no,
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&zero,
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(double*)T_hhh[0], oo));
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}
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timings["holes"].stop();
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timings["particles"].start();
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for (size_t j = 0; j < 6; j++) {
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_CHECK_CUBLAS_SUCCESS(" > 'geming ...",
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cublasDgemm(handle,
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CUBLAS_OP_T,
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CUBLAS_OP_N,
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oo, no, nv,
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&one,
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(double*)P_phh[j % 3], nv,
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(double*)P_ph[j], nv,
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&zero,
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(double*)T_hhh[0], oo));
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}
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timings["particles"].stop();
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cuCtxSynchronize();
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}
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timings["dgemm"].stop();
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printf("Performance: \n");
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for (auto name: {"holes", "particles", "dgemm"})
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printf("%10s TFlops: %4.1f\n",
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name,
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tflopss[name]
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/ timings[name].count());
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printf("Timings: \n");
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for (auto const& kv: timings)
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printf("%10s: %10f\n", kv.first.c_str(), kv.second.count());
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MPI_Finalize();
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return 0;
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}
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