INFO: Using directory: "3" INFO: Using existing c-file: ./ESRF_ID01.c INFO: Using existing binary: ./ESRF_ID01.out WARNING: Ignoring invalid parameter: "ESRF_ID01.instr" INFO: === INFO: Using system default number of mpirun -np processes -------------------------------------------------------------------------- By default, for Open MPI 4.0 and later, infiniband ports on a device are not used by default. The intent is to use UCX for these devices. You can override this policy by setting the btl_openib_allow_ib MCA parameter to true. Local host: n-62-29-34 Local adapter: mlx4_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: n-62-29-34 Local device: mlx4_0 -------------------------------------------------------------------------- Simulation 'ESRF_ID01' (/zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_5e7/ESRF_ID01/ESRF_ID01.instr): running on 10 nodes (master is 'n-62-29-34', MPI version 3.1). Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. [ESRF_ID01] Initialize Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. [ESRF_ID01] Initialize Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. Target wavelength is 1.5498 AA. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. [ESRF_ID01] Initialize [ESRF_ID01] Initialize mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. [ESRF_ID01] Initialize mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/FormFactors.txt' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/polycrystal_1layer_2orts.map' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/stretch_2orts.orts' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/GeReduced.lau' (Table_Read_Offset) mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/GeReduced.lau' (Table_Read_Offset) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/GeReduced.lau' (Table_Read_Offset) Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. The monochromators will be rotated by 14.3078 degrees. Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. [ESRF_ID01] Initialize [ESRF_ID01] Initialize [ESRF_ID01] Initialize mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. [ESRF_ID01] Initialize mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. Target wavelength is 1.5498 AA. The monochromators will be rotated by 14.3078 degrees. [ESRF_ID01] Initialize mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. mccompcurname: Rebinning MaterialDatafile data (Si.txt) for faster tracing. WARNING: (Table_Rebin): Rebinning table from Si.txt would exceed 1M rows. Skipping. Sample: 6 reflections found in GeReduced.lau. Sample: 2 different orientations found in stretch_2orts.orts. Sample: 441 voxels organised in a 21 by 21 by 1-grid found in polycrystal_1layer_2orts.map. Sample: The voxels of the polycrystals have dimensions of 9.52381e-06 m by 9.52381e-06 m by 5e-05 m. Sample: Volume of unit cell is 181.12 AA^3. [n-62-29-34:14163] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-34:14163] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-34:14163] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Trace ETA 18 [s] % 60 Trace ETA 18 [s] % 60 Trace ETA 18 [s] % 59 Trace ETA 20 [s] % 53 Trace ETA 19 [s] % 56 Trace ETA 18 [s] % 60 Trace ETA 18 [s] % Trace ETA 18 [s] % 60 58 Trace ETA 18 [s] % 60 Trace ETA 19 [s] % 56 70 69 70 70 70 70 68 66 66 63 79 80 80 80 80 80 78 76 76 73 90 90 89 90 90 90 88 86 86 83 99 Finally [ESRF_ID01: 3]. Time: 18 [s] Finally [ESRF_ID01: 3]. Time: 18 [s] 98 96 96 Finally [ESRF_ID01: 3]. Time: 18 [s] Finally [ESRF_ID01: 3]. Time: 18 [s] 93 Finally [ESRF_ID01: 3]. Time: 19 [s] Save [ESRF_ID01] Detector: DivergenceMonitor_I=3.39432e-05 DivergenceMonitor_ERR=9.00221e-08 DivergenceMonitor_N=2.5553e+06 "DivMonitor.dat" Detector: EnergyMonitor_I=3.39432e-05 EnergyMonitor_ERR=9.00221e-08 EnergyMonitor_N=2.5553e+06 "EnergyMonitor.dat" Detector: PSDMonitor_I=3.39432e-05 PSDMonitor_ERR=9.00221e-08 PSDMonitor_N=2.5553e+06 "PSDMonitor.dat" Finally [ESRF_ID01: 3]. Time: 20 [s] Finally [ESRF_ID01: 3]. Time: 20 [s] Finally [ESRF_ID01: 3]. Time: 20 [s] Detector: MAXIPix_I=2.11147e-06 MAXIPix_ERR=1.15387e-08 MAXIPix_N=1.4141e+06 "DetectorMaxiPix.mcp" Finally [ESRF_ID01: 3]. Time: 20 [s] Finally [ESRF_ID01: 3]. Time: 20 [s] INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_5e7/ESRF_ID01/ESRF_ID01.instr in dataset 3 loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace-1.x_CPU_MPICC/mccode_config.json