INFO: Using directory: "2" INFO: Using existing c-file: ./HZB_NEAT.c INFO: Using existing binary: ./HZB_NEAT.out INFO: === Simulation 'HZB_NEAT' (/u/data/pkwi/TESTS/2025-12-12/ANTLR_openacc_mpi_x_7_1e7_Linux_1e7/HZB_NEAT/HZB_NEAT.instr): running on 7 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1). Have found 8 GPU devices on rank 3. Will use device 3. Have found 8 GPU devices on rank 5. Will use device 5. Have found 8 GPU devices on rank 0. Will use device 0. HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize Isotropic_Sqw: Sample: is a box: width=0.050000 height=0.060000 depth=0.002000 Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Y2O3.laz' (Table_Read_Offset) Have found 8 GPU devices on rank 2. Will use device 2. HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Y2O3.laz' (Table_Read_Offset) Isotropic_sqw: Converting 871 powder lines from Y2O3.laz into S(q,w) data Isotropic_sqw: q range [0:12.6779], creating 1496 elements vector Isotropic_Sqw: Sample: Generated Y2O3.laz coherent Sqw q=[0:12.6695 Angs-1] w=[0:0 meV] |S|=0.0429979 size=[1496x1] sigma=444.64 [barns] Mainly elastic scattering. Have found 8 GPU devices on rank 4. Will use device 4. HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] Isotropic_Sqw: Sample: Using Isotropic elastic incoherent scattering (sigma=4.832 [barns]) Isotropic_Sqw: Sample: Sample temperature not defined (T=0). Warning Disabling detailed balance. [HZB_NEAT] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Have found 8 GPU devices on rank 1. Will use device 1. HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] Have found 8 GPU devices on rank 6. Will use device 6. HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize [HZB_NEAT] Initialize [HZB_NEAT] Initialize HZB_NEAT: Detailed NEAT/TOF configuration * Incoming beam: lambda=6 [Angs] EI=2.272 [meV] KI=1.047 [Angs-1] Vi=659.339 [m/s] Sample: coh=Y2O3.laz inc=NULL Elastic line time: 21655.2 [us] [HZB_NEAT] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inHe.table' (Table_Read_Offset) Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/data/Gas_tables/He3inCF4.table' (Table_Read_Offset) *** TRACE end *** Save [HZB_NEAT] Detector: Guide_PSD_I=7.92416e+07 Guide_PSD_ERR=157957 Guide_PSD_N=1.41902e+06 "Guide_PSD_1765547775.y_x" Detector: Guide_Lambda_I=3.96135e+07 Guide_Lambda_ERR=111628 Guide_Lambda_N=710130 "Guide_Lambda_1765547775.L" Detector: Guide2_PSD_I=5.01642e+06 Guide2_PSD_ERR=10292.7 Guide2_PSD_N=1.18063e+06 "Guide2_PSD_1765547775.x_y" Detector: Guide2_Lambda_I=2.507e+06 Guide2_Lambda_ERR=7272.5 Guide2_Lambda_N=591252 "Guide2_Lambda_1765547775.L" Detector: Guide2_dXY_I=5.01641e+06 Guide2_dXY_ERR=10292.7 Guide2_dXY_N=1.18059e+06 "Guide2_dXY_1765547775.hd_vd" Detector: Guide_time_I=2.17982e+06 Guide_time_ERR=6781.32 Guide_time_N=514715 "Guide_time_1765547775.t" Detector: Ideal_Det_I=2065.04 Ideal_Det_ERR=12.4684 Ideal_Det_N=154899 "Ideal_Det_1765547775.A_t" Finally [HZB_NEAT: 2]. Time: 2 [s] Finally [HZB_NEAT: 2]. Time: 2 [s] Finally [HZB_NEAT: 2]. Time: 2 [s] Finally [HZB_NEAT: 2]. Time: 2 [s] Finally [HZB_NEAT: 2]. Time: 2 [s] Detector: Detector_I=953.868 Detector_ERR=8.62807 Detector_N=68932 "NEAT.psd" Finally [HZB_NEAT: 2]. Time: 2 [s] Finally [HZB_NEAT: 2]. Time: 2 [s] Isotropic_Sqw: Sample: 234145 neutron events (out of 1758784) that should have scattered were transmitted because scattering conditions WARNING could not be satisfied after 100 tries. Isotropic_Sqw: Sample: 3843 neutron events (out of 1524639) reached WARNING unrealistic weight. The S(q,w) norm might be too high. Isotropic_Sqw: Sample: Scattering fraction=0.0301052 of incoming intensity Absorption fraction =0.474513 Single scattering intensity =34276 (coh=32737 inc=1538.97) Multiple scattering intensity =891.974 INFO: Placing instr file copy HZB_NEAT.instr in dataset 2 INFO: Placing generated c-code copy HZB_NEAT.c in dataset 2