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: "2"
INFO: Using existing c-file: ./templateLaue.c
INFO: Using existing binary: ./templateLaue.out
WARNING: Ignoring invalid parameter: "templateLaue"
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 'templateLaue' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/templateLaue/templateLaue.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.
[templateLaue] Initialize
[templateLaue] Initialize
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Single_crystal: leucine.lau structure a=14.66 b=5.324 c=9.606 aa=90 bb=94.06 cc=90 V0=747.865
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
Single_crystal: sample: Read 4912 reflections from file 'leucine.lau'
Single_crystal: sample: Vc=747.865 [Angs] sigma_abs=25.024 [barn] sigma_inc=4175.6 [barn] reflections=leucine.lau
*** TRACE end *** 

Save [templateLaue]

Finally [templateLaue: 2]. Time: 3 [s] 
Detector: det_I=4.39762e+08 det_ERR=64062.3 det_N=4.73246e+07 "psd.dat"

Finally [templateLaue: 2]. Time: 3 [s] 
[r6n22.esss.dk:4153775] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found
[r6n22.esss.dk:4153775] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
INFO: Placing instr file copy /users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/templateLaue/templateLaue.instr in dataset 2