for (i = 0; i < ndev; i++)
{
get_gpu_device_info_string(stmp, gpu_info, i);
- strcat(sbuf, " ");
+ strcat(sbuf, " ");
strcat(sbuf, stmp);
if (i < ndev - 1)
{
bEmulateGPU = (getenv("GMX_EMULATE_GPU") != NULL);
bMaxMpiThreadsSet = (getenv("GMX_MAX_MPI_THREADS") != NULL);
- /* check the SIMD level mdrun is compiled with against hardware
- capabilities */
- /* TODO: Here we assume homogeneous hardware which is not necessarily
- the case! Might not hurt to add an extra check over MPI. */
- gmx_cpuid_simd_check(hwinfo->cpuid_info, fplog, SIMMASTER(cr));
-
- check_use_of_rdtscp_on_this_cpu(fplog, cr, hwinfo);
-
- /* NOTE: this print is only for and on one physical node */
- print_gpu_detection_stats(fplog, &hwinfo->gpu_info, cr);
-
if (hwinfo->gpu_info.n_dev_compatible > 0)
{
std::string gpuUseageReport;
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
/* NOTE: this print is only for and on one physical node */
- md_print_info(cr, fplog, gpuUseageReport.c_str());
+ md_print_info(cr, fplog, "%s\n", gpuUseageReport.c_str());
}
/* Need to ensure that we have enough GPUs:
return uniq_count;
}
+static int get_ncores(gmx_cpuid_t cpuid)
+{
+ int nprocessors, npackages, ncores_per_package, nhwthreads_per_core;
+ const int *package_id, *core_id, *hwthread_id, *locality_order;
+ int rc;
+
+ rc = gmx_cpuid_topology(cpuid,
+ &nprocessors, &npackages,
+ &ncores_per_package, &nhwthreads_per_core,
+ &package_id, &core_id,
+ &hwthread_id, &locality_order);
+
+ if (rc == 0)
+ {
+ return npackages*ncores_per_package;
+ }
+ else
+ {
+ /* We don't have cpuid topology info, return 0 core count */
+ return 0;
+ }
+}
/* Return the number of hardware threads supported by the current CPU.
* We assume that this is equal with the number of "processors"
#endif
}
+static void gmx_collect_hardware_mpi()
+{
+#ifdef GMX_LIB_MPI
+ int rank_id;
+ int nrank, rank, ncore, nhwthread, ngpu, i;
+ int gpu_hash;
+ int *buf, *all;
+
+ rank_id = gmx_physicalnode_id_hash();
+ MPI_Comm_rank(MPI_COMM_WORLD, &rank);
+ MPI_Comm_size(MPI_COMM_WORLD, &nrank);
+ ncore = hwinfo_g->ncore;
+ nhwthread = hwinfo_g->nthreads_hw_avail;
+ ngpu = hwinfo_g->gpu_info.n_dev_compatible;
+ /* Create a unique hash of the GPU type(s) in this node */
+ gpu_hash = 0;
+ /* Here it might be better to only loop over the compatible GPU, but we
+ * don't have that information available and it would also require
+ * removing the device ID from the device info string.
+ */
+ for (i = 0; i < hwinfo_g->gpu_info.n_dev; i++)
+ {
+ char stmp[STRLEN];
+
+ /* Since the device ID is incorporated in the hash, the order of
+ * the GPUs affects the hash. Also two identical GPUs won't give
+ * a gpu_hash of zero after XORing.
+ */
+ get_gpu_device_info_string(stmp, &hwinfo_g->gpu_info, i);
+ gpu_hash ^= gmx_string_fullhash_func(stmp, gmx_string_hash_init);
+ }
+
+ snew(buf, nrank);
+ snew(all, nrank);
+ buf[rank] = rank_id;
+
+ MPI_Allreduce(buf, all, nrank, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+
+ gmx_bool bFound;
+ int nnode0, ncore0, nhwthread0, ngpu0, r;
+
+ bFound = FALSE;
+ ncore0 = 0;
+ nnode0 = 0;
+ nhwthread0 = 0;
+ ngpu0 = 0;
+ for (r = 0; r < nrank; r++)
+ {
+ if (all[r] == rank_id)
+ {
+ if (!bFound && r == rank)
+ {
+ /* We are the first rank in this physical node */
+ nnode0 = 1;
+ ncore0 = ncore;
+ nhwthread0 = nhwthread;
+ ngpu0 = ngpu;
+ }
+ bFound = TRUE;
+ }
+ }
+
+ sfree(buf);
+ sfree(all);
+
+ int sum[4], maxmin[10];
+
+ {
+ int buf[4];
+
+ /* Sum values from only intra-rank 0 so we get the sum over all nodes */
+ buf[0] = nnode0;
+ buf[1] = ncore0;
+ buf[2] = nhwthread0;
+ buf[3] = ngpu0;
+
+ MPI_Allreduce(buf, sum, 4, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
+ }
+
+ {
+ int buf[10];
+
+ /* Store + and - values for all ranks,
+ * so we can get max+min with one MPI call.
+ */
+ buf[0] = ncore;
+ buf[1] = nhwthread;
+ buf[2] = ngpu;
+ buf[3] = gmx_cpuid_simd_suggest(hwinfo_g->cpuid_info);
+ buf[4] = gpu_hash;
+ buf[5] = -buf[0];
+ buf[6] = -buf[1];
+ buf[7] = -buf[2];
+ buf[8] = -buf[3];
+ buf[9] = -buf[4];
+
+ MPI_Allreduce(buf, maxmin, 10, MPI_INT, MPI_MAX, MPI_COMM_WORLD);
+ }
+
+ hwinfo_g->nphysicalnode = sum[0];
+ hwinfo_g->ncore_tot = sum[1];
+ hwinfo_g->ncore_min = -maxmin[5];
+ hwinfo_g->ncore_max = maxmin[0];
+ hwinfo_g->nhwthread_tot = sum[2];
+ hwinfo_g->nhwthread_min = -maxmin[6];
+ hwinfo_g->nhwthread_max = maxmin[1];
+ hwinfo_g->ngpu_compatible_tot = sum[3];
+ hwinfo_g->ngpu_compatible_min = -maxmin[7];
+ hwinfo_g->ngpu_compatible_max = maxmin[2];
+ hwinfo_g->simd_suggest_min = static_cast<enum gmx_cpuid_simd>(-maxmin[8]);
+ hwinfo_g->simd_suggest_max = static_cast<enum gmx_cpuid_simd>(maxmin[3]);
+ hwinfo_g->bIdenticalGPUs = (maxmin[4] == -maxmin[9]);
+#else
+ /* All ranks use the same pointer, protect it with a mutex */
+ tMPI_Thread_mutex_lock(&hw_info_lock);
+ hwinfo_g->nphysicalnode = 1;
+ hwinfo_g->ncore_tot = hwinfo_g->ncore;
+ hwinfo_g->ncore_min = hwinfo_g->ncore;
+ hwinfo_g->ncore_max = hwinfo_g->ncore;
+ hwinfo_g->nhwthread_tot = hwinfo_g->nthreads_hw_avail;
+ hwinfo_g->nhwthread_min = hwinfo_g->nthreads_hw_avail;
+ hwinfo_g->nhwthread_max = hwinfo_g->nthreads_hw_avail;
+ hwinfo_g->ngpu_compatible_tot = hwinfo_g->gpu_info.n_dev_compatible;
+ hwinfo_g->ngpu_compatible_min = hwinfo_g->gpu_info.n_dev_compatible;
+ hwinfo_g->ngpu_compatible_max = hwinfo_g->gpu_info.n_dev_compatible;
+ hwinfo_g->simd_suggest_min = gmx_cpuid_simd_suggest(hwinfo_g->cpuid_info);
+ hwinfo_g->simd_suggest_max = gmx_cpuid_simd_suggest(hwinfo_g->cpuid_info);
+ hwinfo_g->bIdenticalGPUs = TRUE;
+ tMPI_Thread_mutex_unlock(&hw_info_lock);
+#endif
+}
+
gmx_hw_info_t *gmx_detect_hardware(FILE *fplog, const t_commrec *cr,
gmx_bool bDetectGPUs)
{
- int ret;
+ int ret;
/* make sure no one else is doing the same thing */
ret = tMPI_Thread_mutex_lock(&hw_info_lock);
gmx_fatal_collective(FARGS, cr, NULL, "CPUID detection failed!");
}
+ /* get the number of cores, will be 0 when not detected */
+ hwinfo_g->ncore = get_ncores(hwinfo_g->cpuid_info);
+
/* detect number of hardware threads */
hwinfo_g->nthreads_hw_avail = get_nthreads_hw_avail(fplog, cr);
gmx_fatal(FARGS, "Error unlocking hwinfo mutex: %s", strerror(errno));
}
+ gmx_collect_hardware_mpi();
+
return hwinfo_g;
}
+static std::string detected_hardware_string(const gmx_hw_info_t *hwinfo,
+ bool bFullCpuInfo)
+{
+ std::string s;
+
+ s = gmx::formatString("\n");
+ s += gmx::formatString("Running on %d node%s with total",
+ hwinfo->nphysicalnode,
+ hwinfo->nphysicalnode == 1 ? "" : "s");
+ if (hwinfo->ncore_tot > 0)
+ {
+ s += gmx::formatString(" %d cores,", hwinfo->ncore_tot);
+ }
+ s += gmx::formatString(" %d hardware threads", hwinfo->nhwthread_tot);
+ if (hwinfo->gpu_info.bDetectGPUs)
+ {
+ s += gmx::formatString(", %d compatible GPU%s",
+ hwinfo->ngpu_compatible_tot,
+ hwinfo->ngpu_compatible_tot == 1 ? "" : "s");
+ }
+ else if (bGPUBinary)
+ {
+ s += gmx::formatString(" (GPU detection deactivated)");
+ }
+ s += gmx::formatString("\n");
+
+ if (hwinfo->nphysicalnode > 1)
+ {
+ /* Print per node hardware feature counts */
+ if (hwinfo->ncore_max > 0)
+ {
+ s += gmx::formatString("Cores per node: %2d", hwinfo->ncore_min);
+ if (hwinfo->ncore_max > hwinfo->ncore_min)
+ {
+ s += gmx::formatString(" - %2d", hwinfo->ncore_max);
+ }
+ s += gmx::formatString("\n");
+ }
+ s += gmx::formatString("Hardware threads per node: %2d", hwinfo->nhwthread_min);
+ if (hwinfo->nhwthread_max > hwinfo->nhwthread_min)
+ {
+ s += gmx::formatString(" - %2d", hwinfo->nhwthread_max);
+ }
+ s += gmx::formatString("\n");
+ if (bGPUBinary)
+ {
+ s += gmx::formatString("Compatible GPUs per node: %2d",
+ hwinfo->ngpu_compatible_min);
+ if (hwinfo->ngpu_compatible_max > hwinfo->ngpu_compatible_min)
+ {
+ s += gmx::formatString(" - %2d", hwinfo->ngpu_compatible_max);
+ }
+ s += gmx::formatString("\n");
+ if (hwinfo->ngpu_compatible_tot > 0)
+ {
+ if (hwinfo->bIdenticalGPUs)
+ {
+ s += gmx::formatString("All nodes have identical type(s) of GPUs\n");
+ }
+ else
+ {
+ /* This message will also appear with identical GPU types
+ * when at least one node has no GPU.
+ */
+ s += gmx::formatString("Different nodes have different type(s) and/or order of GPUs\n");
+ }
+ }
+ }
+ }
+
+#ifdef GMX_LIB_MPI
+ char host[255];
+ int rank;
+
+ gmx_gethostname(host, 255);
+ MPI_Comm_rank(MPI_COMM_WORLD, &rank);
+
+ s += gmx::formatString("Hardware detected on host %s (the node of MPI rank %d):\n",
+ host, rank);
+#else
+ s += gmx::formatString("Hardware detected:\n");
+#endif
+ s += gmx::formatString(" CPU info:\n");
+ if (bFullCpuInfo)
+ {
+ char buf[1024];
+
+ gmx_cpuid_formatstring(hwinfo->cpuid_info, buf, 1023);
+ buf[1023] = '\0';
+
+ s += gmx::formatString("%s", buf);
+ }
+ else
+ {
+ s += gmx::formatString(" Vendor: %s\n",
+ gmx_cpuid_vendor_string[gmx_cpuid_vendor(hwinfo->cpuid_info)]);
+ s += gmx::formatString(" Brand: %s\n",
+ gmx_cpuid_brand(hwinfo->cpuid_info));
+ }
+ s += gmx::formatString(" SIMD instructions most likely to fit this hardware: %s",
+ gmx_cpuid_simd_string[hwinfo->simd_suggest_min]);
+ if (hwinfo->simd_suggest_max > hwinfo->simd_suggest_min)
+ {
+ s += gmx::formatString(" - %s",
+ gmx_cpuid_simd_string[hwinfo->simd_suggest_max]);
+ }
+ s += gmx::formatString("\n");
+ s += gmx::formatString(" SIMD instructions selected at GROMACS compile time: %s\n",
+ gmx_cpuid_simd_string[gmx_compiled_simd()]);
+ if (bGPUBinary && (hwinfo->ngpu_compatible_tot > 0 ||
+ hwinfo->gpu_info.n_dev > 0))
+ {
+ s += gmx::formatString(" GPU info:\n");
+ s += gmx::formatString(" Number of GPUs detected: %d\n",
+ hwinfo->gpu_info.n_dev);
+ if (hwinfo->gpu_info.n_dev > 0)
+ {
+ char buf[STRLEN];
+
+ sprint_gpus(buf, &hwinfo->gpu_info);
+ s += gmx::formatString("%s\n", buf);
+ }
+ }
+
+ return s;
+}
+
+void gmx_print_detected_hardware(FILE *fplog, const t_commrec *cr,
+ const gmx_hw_info_t *hwinfo)
+{
+ if (fplog != NULL)
+ {
+ std::string detected;
+
+ detected = detected_hardware_string(hwinfo, TRUE);
+
+ fprintf(fplog, "%s\n", detected.c_str());
+ }
+
+ if (MULTIMASTER(cr))
+ {
+ std::string detected;
+
+ detected = detected_hardware_string(hwinfo, FALSE);
+
+ fprintf(stderr, "%s\n", detected.c_str());
+ }
+
+ /* Check the compiled SIMD instruction set against that of the node
+ * with the lowest SIMD level support.
+ */
+ gmx_cpuid_simd_check(hwinfo->simd_suggest_min, fplog, MULTIMASTER(cr));
+
+ /* For RDTSCP we only check on our local node and skip the MPI reduction */
+ check_use_of_rdtscp_on_this_cpu(fplog, cr, hwinfo);
+}
+
void gmx_parse_gpu_ids(gmx_gpu_opt_t *gpu_opt)
{
char *env;
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff