INFO: Using directory: "1" INFO: Using existing c-file: ./RTP_DIF.c INFO: Using existing binary: ./RTP_DIF.out WARNING: Ignoring invalid parameter: "mcrun" WARNING: Ignoring invalid parameter: "RTP_DIF.instr" INFO: === Simulation 'RTP_DIF' (RTP_DIF.instr): running on 20 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] RTP_DIF: Monochromator take-off angle=41.1844 [deg] [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize Monitor_nD: lmon is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). [RTP_DIF] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/HOPG.rfl' (Table_Read_Offset) [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize [RTP_DIF] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/HOPG.trm' (Table_Read_Offset) Reusing input file 'HOPG.rfl' (Table_Read_Offset) Reusing input file 'HOPG.trm' (Table_Read_Offset) Reusing input file 'HOPG.rfl' (Table_Read_Offset) Reusing input file 'HOPG.trm' (Table_Read_Offset) 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 '/u/data/pkwi/McStas/mcstas/3.x-dev/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 '/u/data/pkwi/McStas/mcstas/3.x-dev/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 '/u/data/pkwi/McStas/mcstas/3.x-dev/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. 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 Trace ETA (20 MPI processes) 40 [s] 27 % 30 % 40 % 50 % 60 % 70 % 80 % 90 % *** TRACE end *** Save [RTP_DIF] Detector: lmon_I=1.17049e+09 lmon_ERR=384187 lmon_N=9.61269e+06 "lmon_1773722740.L" Detector: psd_transmit_I=7.88564e+08 psd_transmit_ERR=95801.2 psd_transmit_N=7.37623e+07 "psd_transmit_1773722740.x_y" Detector: psd_reflect_I=5.33641e+07 psd_reflect_ERR=24562.9 psd_reflect_N=4.86932e+06 "psd_reflect_1773722740.x_y" Detector: sample_psd_I=4.69498e+06 sample_psd_ERR=7406.73 sample_psd_N=411074 "sample_psd_1773722740.x_y" Detector: det_big_I=121545 det_big_ERR=59.7225 det_big_N=1.93222e+07 "det_big_1773722740.th_y" Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Detector: det_I=389.896 det_ERR=2.66322 det_N=86072 "det_1773722740.x" Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] Finally [RTP_DIF: 1]. Time: 44 [s] INFO: Placing instr file copy RTP_DIF.instr in dataset 1 INFO: Placing generated c-code copy RTP_DIF.c in dataset 1