INFO: Using directory: "5"
INFO: Using existing c-file: ./Test_PowderN.c
INFO: Using existing binary: ./Test_PowderN.out
WARNING: Ignoring invalid parameter: "Test_PowderN.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-62-11-62
  Local adapter:           mlx5_0
  Local port:              1

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

  Local host:   n-62-11-62
  Local device: mlx5_0
--------------------------------------------------------------------------
Simulation 'Test_PowderN' (/zhome/89/0/38697/xTESTS/2022-06-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr): running on 10 nodes (master is 'n-62-11-62', MPI version 3.1).
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/LaB6_660b_AVID2.hkl' (Table_Read_Offset)
[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!
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[Test_PowderN] Initialize
[n-62-11-62:07401] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected
[n-62-11-62:07401] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
[n-62-11-62:07401] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init
PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB.

Trace ETA 12 [s] % 89 
Trace ETA 12 [s] % 90 
Trace ETA 12 [s] % 86 
Trace ETA 12 [s] % 
Trace ETA 12 [s] % 89 89 
Trace ETA 12 [s] % 89 
Trace ETA 12 [s] % 90 
Trace ETA 12 [s] % 
Trace ETA 12 [s] % 86 90 
Trace ETA 12 [s] % 87 90 90 90 90 90 90 90 *** TRACE end *** 

Save [Test_PowderN]
Detector: Sph_mon_I=7.94513e-10 Sph_mon_ERR=6.60626e-14 Sph_mon_N=2.5e+08 "Sphere.dat"
Detector: detector2_I=7.88301e-10 detector2_ERR=6.59929e-14 detector2_N=2.27526e+08 "psd2.dat"


Finally [Test_PowderN: 5]. Time: 12 [s] 

Finally [Test_PowderN: 5]. Time: 12 [s] 
Finally [Test_PowderN: 5]. Time: 12 [s] 

Finally [Test_PowderN: 5]. Time: 12 [s] 


Finally [Test_PowderN: 5]. Time: 12 [s] 
Finally [Test_PowderN: 5]. Time: 12 [s] 

Finally [Test_PowderN: 5]. Time: 12 [s] 

Finally [Test_PowderN: 5]. Time: 12 [s] 

Finally [Test_PowderN: 5]. Time: 12 [s] 

Finally [Test_PowderN: 5]. Time: 12 [s] 
PowderN: Pow: Error messages were repeated 1 times with absorbed xrays.
PowderN: Pow: Info: you may highly improve the computation efficiency by using
    SPLIT 160 COMPONENT Pow=PowderN(...)
  in the instrument description /zhome/89/0/38697/xTESTS/2022-06-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr.
INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-06-01/McXtrace_CPU_MPICC_KISS_5e7/Test_PowderN/Test_PowderN.instr in dataset 5
loading system configuration
loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/mccode_config.json