loading system configuration
loading override configuration from /users/willend/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_DUAL_A100_DMSC/mccode_config.json
INFO: Using directory: "1"
INFO: Using existing c-file: ./ILL_H13_IN20.c
INFO: Using existing binary: ./ILL_H13_IN20.out
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 'ILL_H13_IN20' (/users/willend/TESTS/2023-03-01/McStas_DUAL_A100_DMSC_5e7/ILL_H13_IN20/ILL_H13_IN20.instr): running on 2 nodes (master is 'r6n22.esss.dk', MPI version 3.1).
Have found 2 GPU devices on rank 0. Will use device 0.
Have found 2 GPU devices on rank 1. Will use device 1.
templateTAS: Detailed TAS configuration
* Incoming beam: EI=18.65 [meV] KI=3 [Angs-1] Vi=1888.87 [m/s]
* Outgoing beam: EF=18.65 [meV] KF=3 [Angs-1] Vf=1888.87 [m/s]
* Transfer:     EN=0 [meV] QM=1 [Angs-1]
Angles: A1=19.39 A2=38.77 A3=0 A4=-19.19 A5=19.39 A6=38.77 [deg]
Monochromator: DM=3.155 [Angs] RMH=6.655 [m] RMV=0.7332 [m] curved
Analyzer:      DA=3.155 [Angs] RAH=2.876 [m] RAV=0.3168 [m] curved
Sample:        Powder V.lau
[ILL_H13_IN20] Initialize
templateTAS: Detailed TAS configuration
* Incoming beam: EI=18.65 [meV] KI=3 [Angs-1] Vi=1888.87 [m/s]
* Outgoing beam: EF=18.65 [meV] KF=3 [Angs-1] Vf=1888.87 [m/s]
* Transfer:     EN=0 [meV] QM=1 [Angs-1]
Angles: A1=19.39 A2=38.77 A3=0 A4=-19.19 A5=19.39 A6=38.77 [deg]
Monochromator: DM=3.155 [Angs] RMH=6.655 [m] RMV=0.7332 [m] curved
Analyzer:      DA=3.155 [Angs] RAH=2.876 [m] RAV=0.3168 [m] curved
Sample:        Powder V.lau
[ILL_H13_IN20] Initialize
Isotropic_Sqw: Sample: is a hollow cylinder: radius=0.010000 thickness=0.005000 height=0.050000 [J Comp Phys 228 (2009) 5251]
Isotropic_sqw: Sample: Powder file probably of type Crystallographica/Fullprof (lau)
WARNING:       but F2 unit is set to powder_barns=1 (barns). Intensity might be 100 times too high.
Isotropic_sqw: Converting 3558 powder lines from V.lau into S(q,w) data
Isotropic_sqw: q range [0:25.0197], creating 423 elements vector
Isotropic_Sqw: Sample: Generated V.lau coherent Sqw
                   q=[0:24.9605 Angs-1] w=[0:0 meV] |S|=0.869429 size=[423x1] sigma=0.01834 [barns]
               Mainly elastic scattering.
Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=5.07999 [barns])
Isotropic_Sqw: Sample: Sample temperature not defined (T=0).
Warning        Disabling detailed balance.
[r6n22.esss.dk:1570473] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found
[r6n22.esss.dk:1570473] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
*** TRACE end *** 

Save [ILL_H13_IN20]
Detector: D4_SC2_1D_I=5.25417e+09 D4_SC2_1D_ERR=1.35539e+06 D4_SC2_1D_N=2.26036e+07 "D4_SC2_1D_1677633803.L"
Detector: Sample_Cradle_I=5.4351e+07 Sample_Cradle_ERR=35233.8 Sample_Cradle_N=4.97592e+06 "Sample_Cradle"
Detector: D7_SC3_1D_I=4.66509e+08 D7_SC3_1D_ERR=173577 D7_SC3_1D_N=7.91138e+07 "D7_SC3_1D_1677633803.th_E"

Finally [ILL_H13_IN20: 1]. Time: 5 [s] 
Detector: He3H_I=250.63 He3H_ERR=1.16621 He3H_N=181866 "He3H.psd"

Finally [ILL_H13_IN20: 1]. Time: 5 [s] 
Isotropic_Sqw: Sample: 274 neutron events (out of 209149) that should have
               scattered were transmitted because scattering conditions
WARNING        could not be satisfied after 100 tries.
Isotropic_Sqw: Sample: Scattering fraction=0.372377 of incoming intensity
               Absorption fraction           =0.543594
               Single   scattering intensity =28089.2 (coh=2269.86 inc=25819.4)
               Multiple scattering intensity =0
INFO: Placing instr file copy /users/willend/TESTS/2023-03-01/McStas_DUAL_A100_DMSC_5e7/ILL_H13_IN20/ILL_H13_IN20.instr in dataset 1