* To help us fund GROMACS development, we humbly ask that you cite
* the research papers on the package. Check out http://www.gromacs.org.
*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
+
+#include "gromacs/legacyheaders/gmx_detect_hardware.h"
+
+#include "config.h"
#include <assert.h>
#include <errno.h>
#include <stdlib.h>
#include <string.h>
+#include <string>
+#include <vector>
+
#ifdef HAVE_UNISTD_H
/* For sysconf */
#include <unistd.h>
#endif
+#ifdef GMX_NATIVE_WINDOWS
+#include <windows.h>
+#endif
-#include "types/enums.h"
-#include "types/hw_info.h"
-#include "types/commrec.h"
-#include "network.h"
-#include "md_logging.h"
-#include "gmx_cpuid.h"
-#include "gpu_utils.h"
-#include "copyrite.h"
-#include "gmx_detect_hardware.h"
-#include "md_logging.h"
+#include "thread_mpi/threads.h"
+#include "gromacs/legacyheaders/copyrite.h"
+#include "gromacs/legacyheaders/gmx_cpuid.h"
+#include "gromacs/legacyheaders/gpu_utils.h"
+#include "gromacs/legacyheaders/md_logging.h"
+#include "gromacs/legacyheaders/network.h"
+#include "gromacs/legacyheaders/types/commrec.h"
+#include "gromacs/legacyheaders/types/enums.h"
+#include "gromacs/legacyheaders/types/hw_info.h"
#include "gromacs/utility/basenetwork.h"
#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/fatalerror.h"
#include "gromacs/utility/gmxomp.h"
#include "gromacs/utility/smalloc.h"
-
-#include "thread_mpi/threads.h"
-
-#ifdef GMX_NATIVE_WINDOWS
-#include <windows.h>
-#endif
+#include "gromacs/utility/stringutil.h"
#ifdef GMX_GPU
const gmx_bool bGPUBinary = TRUE;
}
}
-static void print_gpu_use_stats(FILE *fplog,
- const gmx_gpu_info_t *gpu_info,
- const gmx_gpu_opt_t *gpu_opt,
- const t_commrec *cr)
+/*! \brief Helper function for writing comma-separated GPU IDs.
+ *
+ * \param[in] ids A container of integer GPU IDs
+ * \return A comma-separated string of GPU IDs */
+template <typename Container>
+static std::string makeGpuIdsString(const Container &ids)
{
- char sbuf[STRLEN], stmp[STRLEN];
- int i, ngpu_comp, ngpu_use;
+ std::string output;
+
+ if (0 != ids.size())
+ {
+ typename Container::const_iterator it = ids.begin();
+ output += gmx::formatString("%d", *it);
+ for (++it; it != ids.end(); ++it)
+ {
+ output += gmx::formatString(",%d", *it);
+ }
+ }
+ return output;
+}
- ngpu_comp = gpu_info->ncuda_dev_compatible;
- ngpu_use = gpu_opt->ncuda_dev_use;
+/*! \brief Helper function for reporting GPU usage information
+ * in the mdrun log file
+ *
+ * \param[in] gpu_info Pointer to per-node GPU info struct
+ * \param[in] gpu_opt Pointer to per-node GPU options struct
+ * \param[in] numPpRanks Number of PP ranks per node
+ * \return String to write to the log file
+ * \throws std::bad_alloc if out of memory */
+static std::string
+makeGpuUsageReport(const gmx_gpu_info_t *gpu_info,
+ const gmx_gpu_opt_t *gpu_opt,
+ size_t numPpRanks)
+{
+ int ngpu_use = gpu_opt->ncuda_dev_use;
+ int ngpu_comp = gpu_info->ncuda_dev_compatible;
/* Issue a note if GPUs are available but not used */
if (ngpu_comp > 0 && ngpu_use < 1)
{
- sprintf(sbuf,
- "%d compatible GPU%s detected in the system, but none will be used.\n"
- "Consider trying GPU acceleration with the Verlet scheme!",
- ngpu_comp, (ngpu_comp > 1) ? "s" : "");
+ return gmx::formatString("%d compatible GPU%s detected in the system, but none will be used.\n"
+ "Consider trying GPU acceleration with the Verlet scheme!\n",
+ ngpu_comp, (ngpu_comp > 1) ? "s" : "");
}
- else
- {
- int ngpu_use_uniq;
- ngpu_use_uniq = gmx_count_gpu_dev_unique(gpu_info, gpu_opt);
+ std::string output;
- sprintf(sbuf, "%d GPU%s %sselected for this run.\n"
- "Mapping of GPU%s to the %d PP rank%s in this node: ",
- ngpu_use_uniq, (ngpu_use_uniq > 1) ? "s" : "",
- gpu_opt->bUserSet ? "user-" : "auto-",
- (ngpu_use > 1) ? "s" : "",
- cr->nrank_pp_intranode,
- (cr->nrank_pp_intranode > 1) ? "s" : "");
-
- for (i = 0; i < ngpu_use; i++)
+ {
+ std::vector<int> gpuIdsInUse;
+ for (int i = 0; i < ngpu_use; i++)
{
- sprintf(stmp, "#%d", get_gpu_device_id(gpu_info, gpu_opt, i));
- if (i < ngpu_use - 1)
- {
- strcat(stmp, ", ");
- }
- strcat(sbuf, stmp);
+ gpuIdsInUse.push_back(get_gpu_device_id(gpu_info, gpu_opt, i));
}
+ std::string gpuIdsString = makeGpuIdsString(gpuIdsInUse);
+ int numGpusInUse = gmx_count_gpu_dev_unique(gpu_info, gpu_opt);
+ bool bPluralGpus = numGpusInUse > 1;
+
+ output += gmx::formatString("%d GPU%s %sselected for this run.\n"
+ "Mapping of GPU ID%s to the %d PP rank%s in this node: %s\n",
+ numGpusInUse, bPluralGpus ? "s" : "",
+ gpu_opt->bUserSet ? "user-" : "auto-",
+ bPluralGpus ? "s" : "",
+ numPpRanks,
+ (numPpRanks > 1) ? "s" : "",
+ gpuIdsString.c_str());
}
- md_print_info(cr, fplog, "%s\n\n", sbuf);
+
+ return output;
}
/* Give a suitable fatal error or warning if the build configuration
if (hwinfo->gpu_info.ncuda_dev_compatible > 0)
{
+ std::string gpuUseageReport;
+ try
+ {
+ gpuUseageReport = makeGpuUsageReport(&hwinfo->gpu_info,
+ &hw_opt->gpu_opt,
+ cr->nrank_pp_intranode);
+ }
+ GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
+
/* NOTE: this print is only for and on one physical node */
- print_gpu_use_stats(fplog, &hwinfo->gpu_info, &hw_opt->gpu_opt, cr);
+ md_print_info(cr, fplog, gpuUseageReport.c_str());
}
/* Need to ensure that we have enough GPUs:
/* Return the number of hardware threads supported by the current CPU.
- * We assume that this is equal with the number of CPUs reported to be
- * online by the OS at the time of the call.
- */
+ * We assume that this is equal with the number of "processors"
+ * reported to be online by the OS at the time of the call. The
+ * definition of "processor" is according to an old POSIX standard.
+ *
+ * Note that the number of hardware threads is generally greater than
+ * the number of cores (e.g. x86 hyper-threading, Power). Managing the
+ * mapping of software threads to hardware threads is managed
+ * elsewhere. */
static int get_nthreads_hw_avail(FILE gmx_unused *fplog, const t_commrec gmx_unused *cr)
{
int ret = 0;
#endif /* End of check for sysconf argument values */
#else
- /* Neither windows nor Unix. No fscking idea how many CPUs we have! */
+ /* Neither windows nor Unix. No fscking idea how many hardware threads we have! */
ret = -1;
#endif
if (debug)
{
- fprintf(debug, "Detected %d processors, will use this as the number "
- "of supported hardware threads.\n", ret);
+ fprintf(debug, "Detected %d hardware threads to use.\n", ret);
}
#ifdef GMX_OPENMP
if (ret != gmx_omp_get_num_procs())
{
md_print_warn(cr, fplog,
- "Number of CPUs detected (%d) does not match the number reported by OpenMP (%d).\n"
+ "Number of hardware threads detected (%d) does not match the number reported by OpenMP (%d).\n"
"Consider setting the launch configuration manually!",
ret, gmx_omp_get_num_procs());
}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff