loading system configuration
loading user configuration from /users/willend/.mcstas/3.x-dev/mccode_config.json
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_D4.c
INFO: Using existing binary: ./ILL_D4.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_D4' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_D4/ILL_D4.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.
ILL_D4: Detailed DIF configuration
* Incoming beam: lambda=0.7 [Angs] EI=166.9 [meV]  KI=8.976 [Angs-1] Vi=5651.48 [m/s]
* Monochromator:  DM=1.807 [Angs] RV=-0.7182 [m] curved, take-off A1=-11.17 [deg]
[ILL_D4] Initialize
ILL_D4: Detailed DIF configuration
* Incoming beam: lambda=0.7 [Angs] EI=166.9 [meV]  KI=8.976 [Angs-1] Vi=5651.48 [m/s]
* Monochromator:  DM=1.807 [Angs] RV=-0.7182 [m] curved, take-off A1=-11.17 [deg]
[ILL_D4] Initialize
Isotropic_Sqw: Sample: is a cylinder: radius=0.004000 thickness=0.000000 height=0.040000 [J Comp Phys 228 (2009) 5251]
Isotropic_Sqw: Sample: Computing scattering unit density V_rho=0.0220518 [AA^-3] from density=2.2 [g/cm^3] weight=60.08 [g/mol].
Isotropic_sqw: Converting 2467 S(q) from SiO2_liq.qSq into S(q,w) data
Isotropic_sqw: q range [0:49.971], creating 2467 elements vector
Isotropic_Sqw: Sample: Generated SiO2_liq.qSq coherent Sqw
                   q=[0:49.971 Angs-1] w=[0:0 meV] |S|=1.01457 size=[2499x1] sigma=10.6 [barns]
               Mainly elastic scattering.
Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=0.0056 [barns])
Isotropic_Sqw: Sample: Sample temperature not defined (T=0).
Warning        Disabling detailed balance.
Isotropic_Sqw: Sample: Focusing can only apply for single
               scattering. Setting to order=1.
[r6n22.esss.dk:4137237] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found
[r6n22.esss.dk:4137237] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
*** TRACE end *** 

Save [ILL_D4]
Detector: PSD_I=2.81717e+09 PSD_ERR=1.02634e+06 PSD_N=7.5439e+06 "PSD1.dat"
Detector: Lmon1_I=1.01065e+10 Lmon1_ERR=1.9439e+06 Lmon1_N=2.70648e+07 "Lmon1.dat"
Detector: Lmon2_I=4.3084e+09 Lmon2_ERR=401212 Lmon2_N=1.15432e+08 "Lmon2.dat"
Detector: Sample_mon_I=1.84307e+08 Sample_mon_ERR=27586.4 Sample_mon_N=4.46611e+07 "Sample_mon_1667264389.x_y"
Detector: BananaTheta_I=1.49015e+06 BananaTheta_ERR=641.187 BananaTheta_N=9.83251e+06 "BananaTheta_1667264389.th"
Detector: BananaPSD_I=1.79363e+06 BananaPSD_ERR=718.829 BananaPSD_N=1.15528e+07 "BananaPSD_1667264389.th_y"

Finally [ILL_D4: 1]. Time: 6 [s] 

Finally [ILL_D4: 1]. Time: 6 [s] 
Isotropic_Sqw: Sample: 21 neutron events (out of 224464) that should have
               scattered were transmitted because scattering conditions
WARNING        could not be satisfied after 100 tries.
Isotropic_Sqw: Sample: Scattering fraction=0.150269 of incoming intensity
               Absorption fraction           =0.00609528
               Single   scattering intensity =43727.6 (coh=41842.4 inc=1885.15)
               Multiple scattering intensity =0
INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_D4/ILL_D4.instr in dataset 1