loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace_CPU_MPICC_KISS/mccode_config.json INFO: Using directory: "1" INFO: Regenerating c-file: MAXIV_DanMAX_pxrd2d.c CFLAGS= -I@MCCODE_LIB@/miniconda3/include -L@MCCODE_LIB@/miniconda3/lib -lgsl -lgslcblas -DFUNNEL -std=c99 WARNING: The parameter format of powdern is initialized using a static {,,,} vector. -> Such static vectors support literal numbers ONLY. -> Any vector use of variables or defines must happen via a DECLARE/INITIALIZE pointer. WARNING: The parameter mat_format of powdern is initialized using a static {,,,} vector. -> Such static vectors support literal numbers ONLY. -> Any vector use of variables or defines must happen via a DECLARE/INITIALIZE pointer. ----------------------------------------------------------- Generating single GPU kernel or single CPU section layout: -> SPLIT N at component powdern ----------------------------------------------------------- Generating GPU/CPU -DFUNNEL layout: Component dmu is NOACC, CPUONLY=1 -> FUNNEL mode enabled, SPLIT within buffer. -> CPU section from component dmu -> GPU kernel from component src_psd -> SPLIT within buffer at component powdern ----------------------------------------------------------- INFO: Recompiling: ./MAXIV_DanMAX_pxrd2d.out ./MAXIV_DanMAX_pxrd2d.c: In function ‘reflec_Init’: ./MAXIV_DanMAX_pxrd2d.c:11512:17: warning: cast from pointer to integer of different size [-Wpointer-to-int-cast] int N=(unsigned int)((double **) pars)[0]; ^ WARNING: Ignoring invalid parameter: "MAXIV_DanMAX_pxrd2d.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-62-29-18 Local adapter: mlx4_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: n-62-29-18 Local device: mlx4_0 -------------------------------------------------------------------------- Simulation 'MAXIV_DanMAX_pxrd2d' (/zhome/89/0/38697/xTESTS/2022-08-01/McXtrace_CPU_MPICC_KISS_5e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr): running on 10 nodes (master is 'n-62-29-18', MPI version 3.1). DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. x offset after DCM is: 0.01, x offset after DMM is: 0.01 x offset after DCM is: 0.01, x offset after DMM is: 0.01 z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 x offset after DCM is: 0.01, x offset after DMM is: 0.01 z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. x offset after DCM is: 0.01, x offset after DMM is: 0.01 z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/C-diamond.txt' (Table_Read_Offset) si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. x offset after DCM is: 0.01, x offset after DMM is: 0.01 z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done [MAXIV_DanMAX_pxrd2d] Initialize WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. x offset after DCM is: 0.01, x offset after DMM is: 0.01 Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/FormFactors.txt' (Table_Read_Offset) z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. x offset after DCM is: 0.01, x offset after DMM is: 0.01 z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. x offset after DCM is: 0.01, x offset after DMM is: 0.01 z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. DCM is tuned to E=35 keV corresponding to an angle of 3.23858 (3.23818 + 0.000399326) deg. x offset after DCM is: 0.01, x offset after DMM is: 0.01 z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 DMM is tuned to E=35 keV corresponding to an angle of 0.412871 deg. si mono in, ml mono out DMM1 saggital curvature radius is 4549.5 m, meridional radius is 203 m. x offset after DCM is: 0.01, x offset after DMM is: 0.01 oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done Reusing input file 'Si.txt' (Table_Read_Offset) Reusing input file 'FormFactors.txt' (Table_Read_Offset) WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. z ml mono offset is: 0, z si mono offset is: 0.088647 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done [MAXIV_DanMAX_pxrd2d] Initialize [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/w_b4c_si_3AArghn.dat' (Table_Read_Offset) WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. WARNING: (Table_Rebin): Rebinning table from C-diamond.txt would exceed 1M rows. Skipping. oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Reusing input file 'w_b4c_si_3AArghn.dat' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Reusing input file 'w_b4c_si_3AArghn.dat' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) Table from file 'LaB6_660b_AVID2.hkl' (block 1) is 1453 x 6 (x=1:23), constant step. interpolation: linear '# TITLE La1 B6 [Cubic, Centric (-1 at origin)];# a b ...' PowderN: powdern: Reading 1453 rows from LaB6_660b_AVID2.hkl PowderN: powdern: 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: powdern: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' PowderN: powdern: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('lab6.abs') nor defined sigma_inc! Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/3.x-dev/tools/Python/mxrun/../mccodelib/../../../data/lab6.abs' (Table_Read_Offset) INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' INFO (reflectivity-lib) reflectivity parameterization type: 'eth' [n-62-29-18:14690] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-18:14690] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-18:14690] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Trace ETA 1.5 [min] % 12 Trace ETA 1.41667 [min] % 12 Trace ETA 1.4 [min] % 12 Trace ETA 1.4 [min] % 12 Trace ETA 1.46667 [min] % 12 Trace ETA 1.4 [min] % 13 Trace ETA 1.46667 [min] % 12 Trace ETA 1.4 [min] % 13 Trace ETA 1.46667 [min] % 12 Trace ETA 1.4 [min] % 12 20 20 20 20 20 20 20 20 20 20 30 30 30 30 30 30 30 30 30 30 40 40 40 40 40 40 40 40 40 40 50 50 50 50 50 50 50 50 50 50 60 60 60 60 60 60 60 60 60 60 70 70 70 70 70 70 70 70 70 70 80 80 80 80 80 80 80 80 80 80 90 90 90 90 90 90 90 90 90 90 *** TRACE end *** Save [MAXIV_DanMAX_pxrd2d] Detector: src_psd_I=3.13454e+15 src_psd_ERR=1.89401e+12 src_psd_N=4.99816e+07 "src_mon.psd" Detector: src_div_I=3.13528e+15 src_div_ERR=1.89422e+12 src_div_N=5e+07 "src_mon.div" Detector: src_e_I=3.13528e+15 src_e_ERR=1.89422e+12 src_e_N=5e+07 "src_mon.e" Detector: oh_postmono_psd_I=0.0221744 oh_postmono_psd_ERR=1.46062e-05 oh_postmono_psd_N=1.77917e+07 "oh_postmono.psd" Detector: oh_postmono_div_I=0.0224125 oh_postmono_div_ERR=1.46759e-05 oh_postmono_div_N=1.83593e+07 "oh_postmono.div" Detector: oh_postmono_e_I=0.0224125 oh_postmono_e_ERR=1.46759e-05 oh_postmono_e_N=1.83593e+07 "oh_postmono.e" Detector: eh_start_psd_I=0.0177341 eh_start_psd_ERR=1.31669e-05 eh_start_psd_N=1.13332e+07 "eh_start.psd" Detector: eh_start_div_I=0.0216242 eh_start_div_ERR=1.44422e-05 eh_start_div_N=1.66357e+07 "eh_start.div" Detector: eh_start_e_I=0.0216242 eh_start_e_ERR=1.44422e-05 eh_start_e_N=1.66357e+07 "eh_start.e" Detector: imaging_psd_I=0.0165983 imaging_psd_ERR=1.276e-05 imaging_psd_N=1.0235e+07 "imaging.psd" Detector: imaging_div_I=0.0216242 imaging_div_ERR=1.44422e-05 imaging_div_N=1.66357e+07 "imaging.div" Detector: imaging_e_I=0.0216242 imaging_e_ERR=1.44422e-05 imaging_e_N=1.66357e+07 "imaging.e" Detector: pxrd2_psd_I=0.00161225 pxrd2_psd_ERR=4.06802e-06 pxrd2_psd_N=794333 "pxrd2.psd" Detector: pxrd2_div_I=0.00161225 pxrd2_div_ERR=4.06802e-06 pxrd2_div_N=794333 "pxrd2.div" Detector: pxrd2_e_I=0.00161225 pxrd2_e_ERR=4.06802e-06 pxrd2_e_N=794333 "pxrd2.e" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Detector: Pilatus_2M_I=8.11913e-05 Pilatus_2M_ERR=1.34056e-07 Pilatus_2M_N=4.08011e+06 "Pilatus_2M.dat" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.53333 [min] INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-08-01/McXtrace_CPU_MPICC_KISS_5e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr in dataset 1