INFO: Using directory: "1" INFO: Using existing c-file: ./ILL_D2B.c INFO: Using existing binary: ./ILL_D2B.out INFO: === Simulation 'ILL_D2B' (ILL_D2B.instr): running on 2 nodes (master is 'sjc20-cw715-56decdc7-cd41-4df3-9fe5-4d96d83bc84e-2E412DA75231.local', MPI version 3.1). 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: 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] Initialize PowderN: Container_in: Concentric mode - remember to include the 'opposite' copy of this component ! WARNING The equivalent, 'opposite' comp should have concentric=0 Opening input file '/Users/runner/miniconda3/envs/mcstas/share/mcstas/resources/data/V.lau' (Table_Read_Offset) Table from file 'V.lau' (block 1) is 3558 x 6 (x=-10:10), constant step. interpolation: linear '# TITLE V1 [Triclinic, Acentric], via https://materialsproject.org/materi ...' PowderN: Container_in: Reading 3558 rows from V.lau PowderN: Container_in: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. PowderN: Container_in: Read 3558 reflections from file 'V.lau' PowderN: Container_in: Vc=13.3996 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.07999 [barn] reflections=V.lau Opening input file '/Users/runner/miniconda3/envs/mcstas/share/mcstas/resources/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' PowderN: Sample: Vc=1079.1 [Angs] sigma_abs=11.7856 [barn] sigma_inc=13.6704 [barn] reflections=Na2Ca3Al2F14.laz Opening input file '/Users/runner/miniconda3/envs/mcstas/share/mcstas/resources/data/V.lau' (Table_Read_Offset) Table from file 'V.lau' (block 1) is 3558 x 6 (x=-10:10), constant step. interpolation: linear '# TITLE V1 [Triclinic, Acentric], via https://materialsproject.org/materi ...' PowderN: Container_out: Reading 3558 rows from V.lau PowderN: Container_out: Powder file probably of type Crystallographica/Fullprof (lau) WARNING: but F2 unit is set to barns=1 (barns). Intensity might be 100 times too high. 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: Container_out: Read 3558 reflections from file 'V.lau' PowderN: Container_out: Vc=13.3996 [Angs] sigma_abs=5.08 [barn] sigma_inc=5.07999 [barn] reflections=V.lau 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=2.26599e+09 D2B_Mono_XY_ERR=5.69007e+06 D2B_Mono_XY_N=188124 "D2B_Mono_XY_1765511249.x_y" Detector: D2B_ALPHA1_Div_I=2.26599e+09 D2B_ALPHA1_Div_ERR=5.69007e+06 D2B_ALPHA1_Div_N=188124 "D2B_ALPHA1_Div_1765511249.hd_vd" Detector: D2B_Mono_Lambda_I=2.26598e+09 D2B_Mono_Lambda_ERR=5.69006e+06 D2B_Mono_Lambda_N=188123 "D2B_Mono_Lambda_1765511249.L" Detector: sphere_I=2.2659e+09 sphere_ERR=1.79929e+06 sphere_N=1.88124e+06 "sphere.dat" Detector: D2B_ALPHA2_Div_I=2.91656e+06 D2B_ALPHA2_Div_ERR=54586.8 D2B_ALPHA2_Div_N=3916 "D2B_ALPHA2_Div_1765511249.hd_vd" Detector: D2B_Sample_Lambda_I=9.16285e+06 D2B_Sample_Lambda_ERR=97244.4 D2B_Sample_Lambda_N=12010 "D2B_Sample_Lambda_1765511249.L" Detector: D2B_BananaTheta_I=23040.2 D2B_BananaTheta_ERR=727.773 D2B_BananaTheta_N=26647 "D2B_BananaTheta_1765511249.A" Detector: D2B_BananaThetaCenter_I=7801.57 D2B_BananaThetaCenter_ERR=391.459 D2B_BananaThetaCenter_N=9428 "D2B_BananaThetaCenter_1765511249.A" Detector: D2B_BananaPSD_I=14187.2 D2B_BananaPSD_ERR=571.789 D2B_BananaPSD_N=14531 "D2B_BananaPSD_1765511249.th_y" Finally [ILL_D2B: 1]. Time: 0 [s] Finally [ILL_D2B: 1]. Time: 0 [s] PowderN: Container_in: Info: you may highly improve the computation efficiency by using SPLIT 428 COMPONENT Container_in=PowderN(...) in the instrument description ILL_D2B.instr. PowderN: Sample: Info: you may highly improve the computation efficiency by using SPLIT 840 COMPONENT Sample=PowderN(...) in the instrument description ILL_D2B.instr. PowderN: Container_out: Info: you may highly improve the computation efficiency by using SPLIT 428 COMPONENT Container_out=PowderN(...) in the instrument description ILL_D2B.instr. INFO: Placing instr file copy ILL_D2B.instr in dataset 1 INFO: Placing generated c-code copy ILL_D2B.c in dataset 1