loading system configuration
loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/mccode_config.json
INFO: Using directory: "2"
INFO: Using existing c-file: ./MAXII_811.c
INFO: Using existing binary: ./MAXII_811.out
WARNING: Ignoring invalid parameter: "MAXII_811.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-62-29-12
  Local adapter:           mlx4_0
  Local port:              1

--------------------------------------------------------------------------
--------------------------------------------------------------------------
WARNING: There was an error initializing an OpenFabrics device.

  Local host:   n-62-29-12
  Local device: mlx4_0
--------------------------------------------------------------------------
Simulation 'MAXII_811' (/zhome/89/0/38697/xTESTS/2022-12-01/McXtrace_CPU_MPICC_KISS_1e7/MAXII_811/MAXII_811.instr): running on 10 nodes (master is 'n-62-29-12', MPI version 3.1).
[MAXII_811] Initialize
[MAXII_811] Initialize
[MAXII_811] Initialize
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/characteristics_wiggler811.dc0' (Table_Read_Offset)
[MAXII_811] Initialize
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
[MAXII_811] Initialize
[MAXII_811] Initialize
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/C.txt' (Table_Read_Offset)
[MAXII_811] Initialize
[MAXII_811] Initialize
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Rh.txt' (Table_Read_Offset)
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
Reusing input file 'C.txt' (Table_Read_Offset)
Reusing input file 'C.txt' (Table_Read_Offset)
Reusing input file 'C.txt' (Table_Read_Offset)
Reusing input file 'C.txt' (Table_Read_Offset)
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset)
[MAXII_811] Initialize
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/FormFactors.txt' (Table_Read_Offset)
[MAXII_811] Initialize
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
Reusing input file 'Si.txt' (Table_Read_Offset)
Reusing input file 'FormFactors.txt' (Table_Read_Offset)
Reusing input file 'Rh.txt' (Table_Read_Offset)
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (wiggler): Integrated intensity radiated is 4.54764e+15 pht/s
wiggler: E0!=0 -> assuming intensity spectrum is parametrized by energy [keV]
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset)
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
be_window: Rebinning material data (Be.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
be_window: Rebinning material data (Be.txt) for faster tracing...done
be_window: Rebinning material data (Be.txt) for faster tracing...done
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Ag.txt' (Table_Read_Offset)
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Fe.txt' (Table_Read_Offset)
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
Table from file 'Si.laz' (block 1) is 45 x 18 (x=1:10), constant step. interpolation: linear
  '# TITLE *-Si-[FD3-MS] Toebbens, D.M.;Stuesser, N.;Knorr, K.;Mayer[2001];# C ...'
PowderN: si_sample: Reading 45 rows from Si.laz
PowderN: si_sample: Read 45 reflections from file 'Si.laz'
PowderN: si_sample: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('Si.txt') nor defined sigma_inc!
Reusing input file 'Si.txt' (Table_Read_Offset)
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
be_window: Rebinning material data (Be.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
be_window: Rebinning material data (Be.txt) for faster tracing...done
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
be_window: Rebinning material data (Be.txt) for faster tracing...done
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
be_window: Rebinning material data (Be.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
INFO (reflectivity-lib): Datafile type not explicit in reflectivity file. Inferring type COATING from datafile.
be_window: Rebinning material data (Be.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
be_window: Rebinning material data (Be.txt) for faster tracing...done
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
be_window: Rebinning material data (Be.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Be.txt would exceed 1M rows. Skipping.
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
Warning: xafs_sample: Invalid inner volume specification. Ignoring.
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
INFO: xafs_sample: Setting rho_o=10.48 from Ag.txt
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
xafs_ref_sample: Rebinning material data (Fe.txt) for faster tracing...done
WARNING: (Table_Rebin): Rebinning table from Fe.txt would exceed 1M rows. Skipping.
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
WARNING(si_sample): p_interact=0, adjusting to 0.01, to avoid algorithm instability
[n-62-29-12:16438] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected
[n-62-29-12:16438] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
[n-62-29-12:16438] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init
*** TRACE end *** 

Save [MAXII_811]
Detector: source_psd_I=4.55544e+15 source_psd_ERR=1.48167e+12 source_psd_N=1e+07 "source.psd"
Detector: source_E_I=4.55158e+15 source_E_ERR=1.4816e+12 source_E_N=9.91738e+06 "source.E"
Detector: source_L_I=4.55158e+15 source_L_ERR=1.4816e+12 source_L_N=9.91738e+06 "source.L"
Detector: m_entry_psd_I=2.98896e+15 m_entry_psd_ERR=1.16664e+12 m_entry_psd_N=7.85672e+06 "me_psd.dat"
Detector: m_entry_E_I=2.98894e+15 m_entry_E_ERR=1.16664e+12 m_entry_E_N=7.79178e+06 "m_entry.E"
Detector: m_entry_L_I=2.98894e+15 m_entry_L_ERR=1.16664e+12 m_entry_L_N=7.79178e+06 "m_entry.L"
Detector: hutch_psd_I=1.57503e+11 hutch_psd_ERR=6.92424e+09 hutch_psd_N=4.45969e+06 "hutch_psd.dat"
Detector: hutch_E_I=2.33763e+11 hutch_E_ERR=8.43866e+09 hutch_E_N=13133 "hutch.E"
Detector: hutch_E2_I=2.28538e+11 hutch_E2_ERR=8.34037e+09 hutch_E2_N=6.41166e+06 "hutch2.E2"
Detector: hucth_L_I=2.33762e+11 hucth_L_ERR=8.43865e+09 hucth_L_N=13730 "hutch.L"
Detector: I0_I=0 I0_ERR=0 I0_N=0 "I0"
Detector: I1_I=0 I1_ERR=0 I1_N=0 "I1"
Detector: I2_I=0 I2_ERR=0 I2_N=0 "I2"
Detector: diff_sample_psd_I=1.55887e+11 diff_sample_psd_ERR=6.88782e+09 diff_sample_psd_N=4.44746e+06 "diff_sample_psd.dat"
Detector: sphere_psd_I=2.25545e+08 sphere_psd_ERR=1.00433e+08 sphere_psd_N=852231 "sphere_psd.dat"
Detector: square_psd_I=29525.9 square_psd_ERR=27007.4 square_psd_N=135543 "square_psd.dat"

Finally [MAXII_811: 2]. Time: 7 [s] 

Finally [MAXII_811: 2]. Time: 7 [s] 
Detector: pilatus100k_I=0 pilatus100k_ERR=0 pilatus100k_N=113 "pil_diff.psd"


Finally [MAXII_811: 2]. Time: 7 [s] 

Finally [MAXII_811: 2]. Time: 7 [s] 

Finally [MAXII_811: 2]. Time: 7 [s] 

Finally [MAXII_811: 2]. Time: 7 [s] 

Finally [MAXII_811: 2]. Time: 7 [s] 

Finally [MAXII_811: 2]. Time: 7 [s] 
Finally [MAXII_811: 2]. Time: 7 [s] 

Finally [MAXII_811: 2]. Time: 7 [s] 
INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-12-01/McXtrace_CPU_MPICC_KISS_1e7/MAXII_811/MAXII_811.instr in dataset 2