void gmx_check_hw_runconf_consistency(FILE *fplog,
const gmx_hw_info_t *hwinfo,
const t_commrec *cr,
const gmx_hw_opt_t *hw_opt,
gmx_bool bUseGPU)
{
int npppn;
char th_or_proc[STRLEN], th_or_proc_plural[STRLEN], pernode[STRLEN];
gmx_bool btMPI, bMPI, bNthreadsAuto, bEmulateGPU;
GMX_RELEASE_ASSERT(hwinfo, "hwinfo must be a non-NULL pointer");
GMX_RELEASE_ASSERT(cr, "cr must be a non-NULL pointer");
/* Below we only do consistency checks for PP and GPUs,
* this is irrelevant for PME only nodes, so in that case we return
* here.
*/
if (!(cr->duty & DUTY_PP))
{
return;
}
#if GMX_THREAD_MPI
bMPI = FALSE;
btMPI = TRUE;
bNthreadsAuto = (hw_opt->nthreads_tmpi < 1);
#elif GMX_LIB_MPI
bMPI = TRUE;
btMPI = FALSE;
bNthreadsAuto = FALSE;
#else
bMPI = FALSE;
btMPI = FALSE;
bNthreadsAuto = FALSE;
#endif
/* GPU emulation detection is done later, but we need here as well
* -- uncool, but there's no elegant workaround */
bEmulateGPU = (getenv("GMX_EMULATE_GPU") != NULL);
if (hwinfo->gpu_info.n_dev_compatible > 0)
{
std::string gpuUseageReport;
try
{
gpuUseageReport = makeGpuUsageReport(&hwinfo->gpu_info,
&hw_opt->gpu_opt,
cr->nrank_pp_intranode,
bMPI && cr->nnodes > 1);
}
GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
/* NOTE: this print is only for and on one physical node */
md_print_info(cr, fplog, "%s\n", gpuUseageReport.c_str());
}
void gmx_check_hw_runconf_consistency(FILE *fplog,
const gmx_hw_info_t *hwinfo,
const t_commrec *cr,
const gmx_hw_opt_t *hw_opt,
gmx_bool bUseGPU)
{
int npppn;
char th_or_proc[STRLEN], th_or_proc_plural[STRLEN], pernode[STRLEN];
gmx_bool btMPI, bMPI, bMaxMpiThreadsSet, bNthreadsAuto, bEmulateGPU;
assert(hwinfo);
assert(cr);
/* Below we only do consistency checks for PP and GPUs,
* this is irrelevant for PME only nodes, so in that case we return
* here.
*/
if (!(cr->duty & DUTY_PP))
{
return;
}
#if defined(GMX_THREAD_MPI)
bMPI = FALSE;
btMPI = TRUE;
bNthreadsAuto = (hw_opt->nthreads_tmpi < 1);
#elif defined(GMX_LIB_MPI)
bMPI = TRUE;
btMPI = FALSE;
bNthreadsAuto = FALSE;
#else
bMPI = FALSE;
btMPI = FALSE;
bNthreadsAuto = FALSE;
#endif
/* GPU emulation detection is done later, but we need here as well
* -- uncool, but there's no elegant workaround */
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.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 */
md_print_info(cr, fplog, gpuUseageReport.c_str());
}
