loading system configuration
loading override configuration from /users/willend/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_DUAL_A100_DMSC/mccode_config.json
INFO: Using directory: "1"
INFO: Using existing c-file: ./Test_SX.c
INFO: Using existing binary: ./Test_SX.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 'Test_SX' (/users/willend/xTESTS/2022-12-01/McXtrace_DUAL_A100_DMSC_5e7/Test_SX/Test_SX.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.
Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667
Single_crystal: sample: Read 1480 reflections from file 'Mo.lau'
Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau
Single_crystal: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667
Single_crystal: sample: Read 1480 reflections from file 'Mo.lau'
Single_crystal: sample: Vc=31.1667 [Angs] sigma_abs= (mu/rho)*4.96 [barn] sigma_inc=0.08 [barn] reflections=Mo.lau
*** TRACE end *** 
Detector: psd0_I=7.95775e-10 psd0_ERR=1.1254e-13 psd0_N=5e+07 "psd0.dat"
Detector: psd4pi_I=7.95766e-10 psd4pi_ERR=1.12571e-13 psd4pi_N=5e+07 "psd4pi.dat"
[r6n22.esss.dk:3414904] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found
[r6n22.esss.dk:3414904] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
INFO: Placing instr file copy /users/willend/xTESTS/2022-12-01/McXtrace_DUAL_A100_DMSC_5e7/Test_SX/Test_SX.instr in dataset 1