loading system configuration
loading override configuration from /users/willend/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_DUAL_A100_DMSC/mccode_config.json
INFO: Using directory: "3"
INFO: Using existing c-file: ./Test_PowderN.c
INFO: Using existing binary: ./Test_PowderN.out
WARNING: Ignoring invalid parameter: "Test_PowderN.instr"
INFO: ===
--------------------------------------------------------------------------
WARNING: No preset parameters were found for the device that Open MPI
detected:

  Local host:            r6n22
  Device name:           mlx5_0
  Device vendor ID:      0x02c9
  Device vendor part ID: 4123

Default device parameters will be used, which may result in lower
performance.  You can edit any of the files specified by the
btl_openib_device_param_files MCA parameter to set values for your
device.

NOTE: You can turn off this warning by setting the MCA parameter
      btl_openib_warn_no_device_params_found to 0.
--------------------------------------------------------------------------
Simulation 'Test_PowderN' (/users/willend/xTESTS/2022-12-01/McXtrace_DUAL_A100_DMSC_5e7/Test_PowderN/Test_PowderN.instr): running on 2 nodes (master is 'r6n22.esss.dk', MPI version 3.1).
Have found 2 GPU devices on rank 1. Will use device 1.
Have found 2 GPU devices on rank 0. Will use device 0.
[Test_PowderN] Initialize
[Test_PowderN] Initialize
Table from file 'LaB6_660b_AVID2.hkl' (block 1) is 1453 x 6 (x=1:23), constant step. interpolation: linear
  '# TITLE  La1 B6 [Cubic, Centric (-1 at origin)];#        a         b        ...'
PowderN: Pow: Reading 1453 rows from LaB6_660b_AVID2.hkl
PowderN: Pow: Powder file probably of type Crystallographica/Fullprof (lau)
WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high.
PowderN: Pow: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl'
PowderN: Pow: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc!
*** TRACE end *** 

Save [Test_PowderN]
Detector: Sph_mon_I=6.55175e-13 Sph_mon_ERR=1.00326e-15 Sph_mon_N=4.49627e+06 "Sphere.dat"
Detector: detector2_I=0 detector2_ERR=0 detector2_N=874 "psd2.dat"

Finally [Test_PowderN: 3]. Time: 2 [s] 
Detector: det_angle_I=5.68579e-14 det_angle_ERR=3.07149e-16 det_angle_N=181858 "det_angle_1669863104.th"

Finally [Test_PowderN: 3]. Time: 2 [s] 
[r6n22.esss.dk:3413845] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found
[r6n22.esss.dk:3413845] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
INFO: Placing instr file copy /users/willend/xTESTS/2022-12-01/McXtrace_DUAL_A100_DMSC_5e7/Test_PowderN/Test_PowderN.instr in dataset 3