loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace-1.x_CPU_MPICC/mccode_config.json INFO: Using directory: "1" INFO: Using existing c-file: ./MAXII_711.c INFO: Using existing binary: ./MAXII_711.out WARNING: Ignoring invalid parameter: "MAXII_711.instr" INFO: === INFO: Using system default number of mpirun -np processes -------------------------------------------------------------------------- By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default. The intent is to use UCX for these devices. You can override this policy by setting the btl_openib_allow_ib MCA parameter to true. Local host: n-62-29-31 Local adapter: mlx4_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: n-62-29-31 Local device: mlx4_0 -------------------------------------------------------------------------- Simulation 'MAXII_711' (/zhome/89/0/38697/xTESTS/2022-12-01/McXtrace-1.x_CPU_MPICC_1e7/MAXII_711/MAXII_711.instr): running on 10 nodes (master is 'n-62-29-31', MPI version 3.1). [MAXII_711] Initialize Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Pt.txt' (Table_Read_Offset) [MAXII_711] Initialize INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/FormFactors.txt' (Table_Read_Offset) WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/C_diamond.laz' (Table_Read_Offset) Table from file 'C_diamond.laz' (block 1) is 16 x 18 (x=1:6), constant step. interpolation: linear '# TITLE *Diamond-C-[FD3-MS] Fayos, J.[1999];# CELL 3.567000 3.567000 3.5670 ...' PowderN: sample: Reading 16 rows from C_diamond.laz PowderN: sample: Read 16 reflections from file 'C_diamond.laz' PowderN: sample: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('C.txt') nor defined sigma_inc! Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/C.txt' (Table_Read_Offset) [MAXII_711] Initialize WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability [MAXII_711] Initialize [MAXII_711] Initialize INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability [MAXII_711] Initialize [MAXII_711] Initialize [MAXII_711] Initialize INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability [MAXII_711] Initialize INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability [MAXII_711] Initialize INFO (/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../optics/Mirror_curved.comp): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile. WARNING(sample): p_inc=0, adjusting to 0.01, to avoid algorithm instability [n-62-29-31:04823] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-31:04823] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-31:04823] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Finally [MAXII_711: 1]. Time: 6 [s] Warning: 8346 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1497 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_711: 1]. Time: 6 [s] Warning: 8418 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1636 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Save [MAXII_711] Detector: source_mon_I=2.39044 source_mon_ERR=0.000756607 source_mon_N=9.99388e+06 "source_mon.dat" Finally [MAXII_711: 1]. Time: 6 [s] Warning: 8477 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1565 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: mirror_exit_lmon_I=0.00926422 mirror_exit_lmon_ERR=2.93491e-06 mirror_exit_lmon_N=1e+07 "mi_lmon.dat" Finally [MAXII_711: 1]. Time: 6 [s] Warning: 8457 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1623 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: mirror_exit_psd_I=0.00904156 mirror_exit_psd_ERR=2.89944e-06 mirror_exit_psd_N=9.75962e+06 "mi_psd.dat" Detector: mono_exit_lmon_I=5.12119e-06 mono_exit_lmon_ERR=5.93608e-08 mono_exit_lmon_N=4.63301e+06 "me_lmon.dat" Finally [MAXII_711: 1]. Time: 6 [s] Finally [MAXII_711: 1]. Time: 6 [s] Warning: 8475 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1578 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 8332 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1494 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: mono_exit_psd_I=5.12102e-06 mono_exit_psd_ERR=5.93607e-08 mono_exit_psd_N=4.6326e+06 "me_psd.dat" Detector: sample_mon_I=2.5565e-07 sample_mon_ERR=1.33324e-08 sample_mon_N=236546 "sample_mon.dat" Detector: psd4pi_I=8.3877e-11 psd4pi_ERR=2.86619e-11 psd4pi_N=155105 "psd4pi.dat" Finally [MAXII_711: 1]. Time: 6 [s] Warning: 8362 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1554 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_711: 1]. Time: 6 [s] Warning: 8471 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1642 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXII_711: 1]. Time: 6 [s] Warning: 8305 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1573 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: bigpsd_I=2.35841e-12 bigpsd_ERR=6.77105e-13 bigpsd_N=29787 "bigpsd.dat" Detector: bigradial_I=3.07207e-12 bigradial_ERR=7.04763e-13 bigradial_N=43377 "bigradial.dat" Detector: detector_I=6.78159e-13 detector_ERR=3.77517e-13 detector_N=4607 "psd.dat" Finally [MAXII_711: 1]. Time: 7 [s] PowderN: sample: Info: you may highly improve the computation efficiency by using SPLIT 15 COMPONENT sample=PowderN(...) in the instrument description /zhome/89/0/38697/xTESTS/2022-12-01/McXtrace-1.x_CPU_MPICC_1e7/MAXII_711/MAXII_711.instr. Warning: 8338 events were removed in Component[26] bigpsd=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Warning: 1563 events were removed in Component[29] detector=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-12-01/McXtrace-1.x_CPU_MPICC_1e7/MAXII_711/MAXII_711.instr in dataset 1