INFO: Using directory: "1" INFO: Regenerating c-file: MAXIV_DanMAX_pxrd2d.c Warning: Component Origin=Progress_bar(string profile) definition parameter may be changed into a setting parameter to avoid warnings at compile time. Warning: Component DMM0a=Mirror_toroid(string reflec) definition parameter may be changed into a setting parameter to avoid warnings at compile time. Warning: Component oh_2dcrl=Lens_parab(string material_datafile) definition parameter may be changed into a setting parameter to avoid warnings at compile time. Info: Defining SPLIT from powdern=PowderN() to END in instrument MAXIV_DanMAX_pxrd2d CFLAGS= -I@MCCODE_LIB@/miniconda3/include -L@MCCODE_LIB@/miniconda3/lib -lgsl -lgslcblas -std=c99 INFO: Recompiling: ./MAXIV_DanMAX_pxrd2d.out mccode-r.c: In function ‘sighandler’: mccode-r.c:3825:5: warning: implicit declaration of function ‘kill’; did you mean ‘ceill’? [-Wimplicit-function-declaration] 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/2022-02-01/McXtrace-1.x_CPU_MPICC_5e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr): running on 10 nodes (master is 'n-62-29-30', 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 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. 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 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 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 [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) Warning (dmu): Undulator is an experimental component - testing is ongoing Warning (dmu): Undulator is an experimental component - testing is ongoing 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 Warning (dmu): Undulator is an experimental component - testing is ongoing Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) Monitor_nD: src_psd is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: src_div is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: src_e is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/C-diamond.txt' (Table_Read_Offset) 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 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/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) 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 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. INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 si mono in, ml mono out INFO: DanMAX: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 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 Warning (dmu): Undulator is an experimental component - testing is ongoing Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd2d] Initialize Warning (dmu): Undulator is an experimental component - testing is ongoing Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/w_b4c_si_3AArghn.dat' (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 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 Warning (dmu): Undulator is an experimental component - testing is ongoing 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 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 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 [MAXIV_DanMAX_pxrd2d] Initialize Warning (dmu): Undulator is an experimental component - testing is ongoing Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd2d] Initialize Warning (dmu): Undulator is an experimental component - testing is ongoing Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) 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 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 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 Warning (dmu): Undulator is an experimental component - testing is ongoing Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) 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 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 Warning (dmu): Undulator is an experimental component - testing is ongoing Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) 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 Type: 'eth' Type: 'eth' Monitor_nD: oh_postmono_psd is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: oh_postmono_div is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: oh_postmono_e is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) Monitor_nD: eh_start_psd is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: eh_start_div is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: eh_start_e is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: imaging_psd is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: imaging_div is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: imaging_e is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: pxrd2_psd is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: pxrd2_div is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Monitor_nD: pxrd2_e is using automatic limits option 'auto' together with MPI. WARNING this may create incorrect distributions (but integrated flux will be right). Opening input file '/zhome/89/0/38697/McXtrace/mcxtrace/1.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/1.x-dev/tools/Python/mxrun/../mccodelib/../../../data/lab6.abs' (Table_Read_Offset) Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' [n-62-29-30:20295] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-30:20295] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-30:20295] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Trace ETA 1.5 [min] % 12 Trace ETA 1.33333 [min] % 13 Trace ETA 1.5 [min] % 12 Trace ETA 1.5 [min] % 12 Trace ETA 1.36667 [min] % 13 Trace ETA 1.35 [min] % 13 Trace ETA 1.36667 [min] % 13 Trace ETA 1.31667 [min] % 13 Trace ETA 1.51667 [min] % 12 Trace ETA 1.35 [min] % 13 23 23 23 23 23 23 22 22 22 22 33 33 33 33 33 33 32 32 32 32 43 43 43 43 43 43 42 42 42 42 53 53 53 53 53 53 52 52 52 52 63 63 63 63 63 63 62 62 62 62 73 73 73 73 73 73 72 72 72 72 83 83 83 83 83 83 82 82 82 93 82 93 93 93 93 93 92 Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.3 [min] Warning: 2.70494e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 92 Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.3 [min] Warning: 2.74474e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 92 Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.3 [min] Warning: 2.71807e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 92 Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.41667 [min] Warning: 2.69992e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.41667 [min] Warning: 2.75418e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.41667 [min] Warning: 2.7427e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.43333 [min] Warning: 2.71575e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Save [MAXIV_DanMAX_pxrd2d] Detector: src_psd_I=3.13411e+15 src_psd_ERR=1.89424e+12 src_psd_N=4.99172e+07 "src_mon.psd" Detector: src_div_I=3.13433e+15 src_div_ERR=1.8943e+12 src_div_N=4.99142e+07 "src_mon.div" Detector: src_e_I=3.13792e+15 src_e_ERR=1.8954e+12 src_e_N=4.99891e+07 "src_mon.e" Detector: oh_postmono_psd_I=0.0223514 oh_postmono_psd_ERR=1.4659e-05 oh_postmono_psd_N=1.82908e+07 "oh_postmono.psd" Detector: oh_postmono_div_I=0.0223536 oh_postmono_div_ERR=1.46596e-05 oh_postmono_div_N=1.82908e+07 "oh_postmono.div" Detector: oh_postmono_e_I=0.0224289 oh_postmono_e_ERR=1.46843e-05 oh_postmono_e_N=1.83577e+07 "oh_postmono.e" Detector: eh_start_psd_I=0.0215601 eh_start_psd_ERR=1.44235e-05 eh_start_psd_N=1.65638e+07 "eh_start.psd" Detector: eh_start_div_I=0.0215877 eh_start_div_ERR=1.44327e-05 eh_start_div_N=1.65849e+07 "eh_start.div" Detector: eh_start_e_I=0.0216471 eh_start_e_ERR=1.44526e-05 eh_start_e_N=1.66342e+07 "eh_start.e" Detector: imaging_psd_I=0.0215671 imaging_psd_ERR=1.44258e-05 imaging_psd_N=1.65694e+07 "imaging.psd" Detector: imaging_div_I=0.0215877 imaging_div_ERR=1.44327e-05 imaging_div_N=1.65849e+07 "imaging.div" Detector: imaging_e_I=0.0216471 imaging_e_ERR=1.44526e-05 imaging_e_N=1.66342e+07 "imaging.e" Detector: pxrd2_psd_I=0.00147075 pxrd2_psd_ERR=3.88702e-06 pxrd2_psd_N=723000 "pxrd2.psd" Detector: pxrd2_div_I=0.00146748 pxrd2_div_ERR=3.8824e-06 pxrd2_div_N=721758 "pxrd2.div" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.43333 [min] Warning: 2.72196e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: pxrd2_e_I=0.00161422 pxrd2_e_ERR=4.07214e-06 pxrd2_e_N=793631 "pxrd2.e" Detector: Pilatus_2M_I=8.09901e-05 Pilatus_2M_ERR=1.33959e-07 Pilatus_2M_N=4.07636e+06 "Pilatus_2M.dat" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.45 [min] Warning: 2.72604e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.51667 [min] PowderN: powdern: Info: you may highly improve the computation efficiency by using SPLIT 144 COMPONENT powdern=PowderN(...) in the instrument description /zhome/89/0/38697/xTESTS/2022-02-01/McXtrace-1.x_CPU_MPICC_5e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr. Warning: 2.72349e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). INFO: Placing instr file copy /zhome/89/0/38697/xTESTS/2022-02-01/McXtrace-1.x_CPU_MPICC_5e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr in dataset 1 loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace-1.x_CPU_MPICC/mccode_config.json