INFO: Using directory: "2" INFO: Using existing c-file: ./templateNMX.c INFO: Using existing binary: ./templateNMX.out WARNING: Ignoring invalid parameter: "templateNMX" INFO: === Simulation 'templateNMX' (/home/nexmap/pkwi/TESTS/2022-04-01/McStas_CPU_MPICC_KISS_1e7/templateNMX/templateNMX.instr): running on 8 nodes (master is 'panda2.fysik.dtu.dk', MPI version 3.0). [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize [templateNMX] Initialize Opening input file '/u/data/pkwi/McStas/mcstas/3.x-dev/tools/Python/mcrun/../mccodelib/../../../data/PPase_D_P1.lau' (Table_Read_Offset) Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: PPase_D_P1.lau structure a=106.1 b=95.51 c=113.726 aa=90 bb=98.08 cc=90 V0=1.14101e+06 Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Single_crystal: sample: Read 1795238 reflections from file 'PPase_D_P1.lau' Single_crystal: sample: Vc=1.14101e+06 [Angs] sigma_abs=0 [barn] sigma_inc=0 [barn] reflections=PPase_D_P1.lau Trace ETA 1.27306 [h] % 0 Trace ETA 1.27306 [h] % 0 Trace ETA 1.27306 [h] % 0 Trace ETA 1.12833 [h] % 0 Trace ETA 1.21528 [h] % 0 Trace ETA 1.21528 [h] % 0 Trace ETA 1.21528 [h] % 0 Trace ETA 1.21528 [h] % 0 10 10 10 10 10 10 10 10 20 20 20 20 20 20 20 20 30 30 30 30 30 30 30 30 40 40 40 40 40 40 40 40 50 50 50 50 50 50 50 50 60 60 60 60 60 60 60 60 70 70 70 70 70 70 70 70 80 80 80 80 80 80 80 80 90 90 90 90 90 90 90 90 *** TRACE end *** Save [templateNMX] Finally [templateNMX: 2]. Time: 1.21111 [h] Finally [templateNMX: 2]. Time: 1.21083 [h] Finally [templateNMX: 2]. Time: 1.21083 [h] Finally [templateNMX: 2]. Time: 1.21111 [h] Detector: det_I=29.6491 det_ERR=0.0490215 det_N=6.65638e+06 "psd.dat" Finally [templateNMX: 2]. Time: 1.21111 [h] Finally [templateNMX: 2]. Time: 1.21083 [h] Finally [templateNMX: 2]. Time: 1.21083 [h] Finally [templateNMX: 2]. Time: 1.21083 [h] Single_crystal: sample: Info: you may highly improve the computation efficiency by using SPLIT 33 COMPONENT sample=Single_crystal(order=1, ...) in the instrument description /home/nexmap/pkwi/TESTS/2022-04-01/McStas_CPU_MPICC_KISS_1e7/templateNMX/templateNMX.instr. Warning (sample): The reflection short list buffer was exhausted at least once. Please consider redefining MCSX_REFL_SLIST_SIZE > 128 INFO: Placing instr file copy /home/nexmap/pkwi/TESTS/2022-04-01/McStas_CPU_MPICC_KISS_1e7/templateNMX/templateNMX.instr in dataset 2 loading system configuration loading override configuration from /home/nexmap/pkwi/McCode/tools/Python/mctest/../mccodelib/mcstas-test/McStas_CPU_MPICC_KISS/mccode_config.json