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_D2B_noenv.c INFO: Using existing binary: ./ILL_D2B_noenv.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_D2B' (/users/willend/TESTS/2022-11-01/McStas_DUAL_A100_DMSC_5e7/ILL_D2B_noenv/ILL_D2B_noenv.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. ILL_D2B: Detailed DIF configuration * Incoming beam: lambda=1 [Angs] EI=81.8 [meV] KI=6.283 [Angs-1] Vi=3956.03 [m/s] * Monochromator: DM=0.5412 [Angs] RV=4.196 [m] curved, take-off 2*THETA_M=135 [deg] * Resolution: Caglioti U=0.0192847 V=0.0333805 W=0.0365723 [deg^2] Optimal ALPHA3=7.39316 [min] Optimal resolution A1/2=5.22775 [min] Normalized Intensity L0=154.003 [min^3] [ILL_D2B] Initialize ILL_D2B: Detailed DIF configuration * Incoming beam: lambda=1 [Angs] EI=81.8 [meV] KI=6.283 [Angs-1] Vi=3956.03 [m/s] * Monochromator: DM=0.5412 [Angs] RV=4.196 [m] curved, take-off 2*THETA_M=135 [deg] * Resolution: Caglioti U=0.0192847 V=0.0333805 W=0.0365723 [deg^2] Optimal ALPHA3=7.39316 [min] Optimal resolution A1/2=5.22775 [min] Normalized Intensity L0=154.003 [min^3] [ILL_D2B] Initialize Opening input file '/users/willend/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/Na2Ca3Al2F14.laz' (Table_Read_Offset) Table from file 'Na2Ca3Al2F14.laz' (block 1) is 841 x 18 (x=1:20), constant step. interpolation: linear '# TITLE *-Na2Ca3Al2F14-[I213] Courbion, G.;Ferey, G.[1988] Standard NAC cal ...' PowderN: Sample: Reading 841 rows from Na2Ca3Al2F14.laz PowderN: Sample: Read 841 reflections from file 'Na2Ca3Al2F14.laz' Collimator_radial: collimador_radial: divergence 5 [min] . Total opening [-165:-5] [deg] Using triangular approximation model with 6336 slits of width 0.436333 [mm] pitch 0.0252525 [deg]. PowderN: Sample: Vc=1079.1 [Angs] sigma_abs=11.7856 [barn] sigma_inc=13.6704 [barn] reflections=Na2Ca3Al2F14.laz Collimator_radial: collimador_radial: divergence 5 [min] . Total opening [-165:-5] [deg] Using triangular approximation model with 6336 slits of width 0.436333 [mm] pitch 0.0252525 [deg]. *** TRACE end *** Save [ILL_D2B] Detector: D2B_Mono_XY_I=2.26377e+09 D2B_Mono_XY_ERR=804354 D2B_Mono_XY_N=9.4041e+06 "D2B_Mono_XY_1667264384.x_y" Detector: D2B_ALPHA1_Div_I=2.26377e+09 D2B_ALPHA1_Div_ERR=804354 D2B_ALPHA1_Div_N=9.4041e+06 "D2B_ALPHA1_Div_1667264384.hd_vd" Detector: D2B_Mono_Lambda_I=2.26377e+09 D2B_Mono_Lambda_ERR=804354 D2B_Mono_Lambda_N=9.4041e+06 "D2B_Mono_Lambda_1667264384.L" Detector: sphere_I=2.26368e+09 sphere_ERR=254349 sphere_N=9.4041e+07 "sphere.dat" Detector: D2B_ALPHA2_Div_I=3.00738e+06 D2B_ALPHA2_Div_ERR=7873.16 D2B_ALPHA2_Div_N=199215 "D2B_ALPHA2_Div_1667264384.hd_vd" Detector: D2B_Sample_Lambda_I=8.98792e+06 D2B_Sample_Lambda_ERR=13617.3 D2B_Sample_Lambda_N=595413 "D2B_Sample_Lambda_1667264384.L" Detector: D2B_BananaTheta_I=9653.15 D2B_BananaTheta_ERR=29.5958 D2B_BananaTheta_N=1.06592e+06 "D2B_BananaTheta_1667264384.A" Detector: D2B_BananaThetaCenter_I=3241.98 D2B_BananaThetaCenter_ERR=16.8381 D2B_BananaThetaCenter_N=359442 "D2B_BananaThetaCenter_1667264384.A" Finally [ILL_D2B: 1]. Time: 3 [s] Detector: D2B_BananaPSD_I=8371.66 D2B_BananaPSD_ERR=32.4794 D2B_BananaPSD_N=897451 "D2B_BananaPSD_1667264384.th_y" Finally [ILL_D2B: 1]. Time: 3 [s] [r6n22.esss.dk:4137162] 1 more process has sent help message help-mpi-btl-openib.txt / no device params found [r6n22.esss.dk:4137162] 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/ILL_D2B_noenv/ILL_D2B_noenv.instr in dataset 1