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-62-29-34 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 'MAXIV_DanMAX_pxrd2d' (/zhome/89/0/38697/xTESTS/2022-03-01/McXtrace-1.x_CPU_MPICC_5e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr): running on 10 nodes (master is 'n-62-29-34', 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. 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 [MAXIV_DanMAX_pxrd2d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) 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 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. [MAXIV_DanMAX_pxrd2d] Initialize oh_diamond_filter1: Rebinning material data (C-diamond.txt) for faster tracing...done Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) Warning (dmu): Undulator is an experimental component - testing is ongoing 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. 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 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) 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. 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 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. 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 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: PXRD 2d area detector prms: 0.135 0 0.000172 0.000172 1475 1679 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 [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 Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) Warning (dmu): Undulator is an experimental component - testing is ongoing [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 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 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. 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' Type: 'eth' Type: 'eth' 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). 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-62-29-34:15638] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-34:15638] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-34:15638] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Trace ETA 1.43333 [min] % 12 Trace ETA 1.31667 [min] % 13 Trace ETA 1.31667 [min] % 13 Trace ETA 1.33333 [min] % 13 Trace ETA 1.31667 [min] % 13 Trace ETA 1.33333 [min] % 13 Trace ETA 1.31667 [min] % 13 Trace ETA 1.31667 [min] % 13 Trace ETA 1.5 [min] % 12 Trace ETA 1.41667 [min] % 12 23 23 23 23 23 23 23 22 22 22 33 33 33 33 33 33 33 32 32 32 43 43 43 43 43 43 43 42 42 42 53 53 53 53 53 53 53 52 52 52 63 63 63 63 63 63 63 62 62 62 73 73 73 73 73 73 73 72 72 72 83 83 83 83 83 83 83 82 82 93 93 93 93 93 93 93 82 92 Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.26667 [min] Warning: 2.72196e+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: 1.26667 [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: 1.28333 [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: 1.28333 [min] Warning: 2.71575e+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: 1.38333 [min] Warning: 2.69992e+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" Detector: pxrd2_e_I=0.00161422 pxrd2_e_ERR=4.07214e-06 pxrd2_e_N=793631 "pxrd2.e" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 1.48333 [min] Warning: 2.74474e+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: 1.48333 [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: 1.48333 [min] Warning: 2.71807e+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: 1.48333 [min] Warning: 2.75418e+06 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). 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: 1.56667 [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/2022-03-01/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/2022-03-01/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