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: ./templateNMX.c
INFO: Using existing binary: ./templateNMX.out
WARNING: Ignoring invalid parameter: "templateNMX"
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 'templateNMX' (/users/willend/TESTS/2022-10-01/McStas_DUAL_A100_DMSC_5e7/templateNMX/templateNMX.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.
[templateNMX] Initialize
[templateNMX] Initialize
Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06
Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06
Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau'
Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau
Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau'
Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau
[r6n22.esss.dk:813707] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found
[r6n22.esss.dk:813707] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
*** TRACE end *** 

Save [templateNMX]

Finally [templateNMX: 2]. Time: 21.9667 [min] 
Detector: det_I=29.6041 det_ERR=0.0218029 det_N=3.32663e+07 "psd.dat"

Finally [templateNMX: 2]. Time: 21.9667 [min] 
INFO: Placing instr file copy /users/willend/TESTS/2022-10-01/McStas_DUAL_A100_DMSC_5e7/templateNMX/templateNMX.instr in dataset 2