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: ./Test_Sqw.c
INFO: Using existing binary: ./Test_Sqw.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_Sqw' (/users/willend/TESTS/2023-02-01/McStas_DUAL_A100_DMSC_5e7/Test_Sqw/Test_Sqw.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.
[Test_Sqw] Initialize
Isotropic_Sqw: Sqw: is a cylinder: radius=0.005000 thickness=0.000000 height=0.100000 [J Comp Phys 228 (2009) 5251]
[Test_Sqw] Initialize
Isotropic_Sqw: Sqw: Temperature set to T=350 [K]
Isotropic_Sqw: Sqw: S(q,w) data from Rb_liq_tot.sqw (coh) assumed to be classical (symmetrised in energy).
Isotropic_Sqw: Sqw: Applying exp(hw/2kT) factor with T=350 [K] on Rb_liq_tot.sqw file (classical/symmetric) using 'Frommhold' quantum correction
Isotropic_Sqw: Sqw: Generated Rb_liq_tot.sqw coherent Sqw
                   q=[0.3:5.5 Angs-1] w=[0:21.7725 meV] |S|=0.237096 size=[105x199] sigma=6.32 [barns]
                   normalization factor S(q,w)*0.114853 (auto) \int q^2 S(q) dq=481.095
Isotropic_Sqw: Sqw: Using Isotropic elastic incoherent scattering (sigma=0.5 [barns])
*** TRACE end *** 

Save [Test_Sqw]
Detector: Sph_mon_I=1.21052e+08 Sph_mon_ERR=111732 Sph_mon_N=1.17392e+06 "Sphere.dat"

Finally [Test_Sqw: 1]. Time: 1 [s] 

Finally [Test_Sqw: 1]. Time: 1 [s] 
Isotropic_Sqw: Sqw: Scattering fraction=0.0233767 of incoming intensity
               Absorption fraction           =0.0713552
               Single   scattering intensity =1.00676e+07 (coh=2.66607e+06 inc=7.4015e+06)
               Multiple scattering intensity =1.37024e+06
[r6n22.esss.dk:2381250] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found
[r6n22.esss.dk:2381250] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages
INFO: Placing instr file copy /users/willend/TESTS/2023-02-01/McStas_DUAL_A100_DMSC_5e7/Test_Sqw/Test_Sqw.instr in dataset 1