loading system configuration loading override configuration from /zhome/89/0/38697/mxtest/mctest/../mccodelib/mcxtrace-test/McXtrace-1.x_CPU_MPICC/mccode_config.json 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 -Wl,-rpath,@MCCODE_LIB@/miniconda3/lib -L@MCCODE_LIB@/miniconda3/lib -lgsl -lgslcblas -std=c99 INFO: Recompiling: ./MAXIV_DanMAX_pxrd2d.out mccode-r.c: In function ‘sighandler’: mccode-r.c:3830:5: warning: implicit declaration of function ‘kill’; did you mean ‘ceill’? [-Wimplicit-function-declaration] /appl/binutils/2.29/bin/ld: warning: /zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../miniconda3/lib/libicudata.so.70: unsupported GNU_PROPERTY_TYPE (5) type: 0xc0010001 /appl/binutils/2.29/bin/ld: warning: /zhome/89/0/38697/McXtrace/mcxtrace/1.x-dev/tools/Python/mxrun/../mccodelib/../../../miniconda3/lib/libicudata.so.70: unsupported GNU_PROPERTY_TYPE (5) type: 0xc0010002 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-62-29-31 Local adapter: mlx4_0 Local port: 1 -------------------------------------------------------------------------- -------------------------------------------------------------------------- WARNING: There was an error initializing an OpenFabrics device. Local host: n-62-29-31 Local device: mlx4_0 -------------------------------------------------------------------------- Simulation 'MAXIV_DanMAX_pxrd2d' (/zhome/89/0/38697/xTESTS/2022-12-01/McXtrace-1.x_CPU_MPICC_1e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr): running on 10 nodes (master is 'n-62-29-31', 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) 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) 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 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) [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 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 [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) 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 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 [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) 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) 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 Warning (dmu): Undulator is an experimental component - testing is ongoing Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) 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' Type: 'eth' Type: 'eth' Type: 'eth' Type: 'eth' [n-62-29-31:05272] 9 more processes have sent help message help-mpi-btl-openib.txt / ib port not selected [n-62-29-31:05272] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages [n-62-29-31:05272] 9 more processes have sent help message help-mpi-btl-openib.txt / error in device init Trace ETA 16 [s] % 66 Trace ETA 15 [s] % 69 Trace ETA 15 [s] % 69 Trace ETA 16 [s] % 67 Trace ETA 16 [s] % 66 Trace ETA 16 [s] % 67 Trace ETA 16 [s] % 68 Trace ETA 16 [s] % 67 Trace ETA 16 [s] % 67 Trace ETA 16 [s] % 67 79 79 78 77 77 77 77 76 76 77 89 89 88 87 87 87 87 86 86 87 99 99 98 97 97 97 97 96 97 96 Save [MAXIV_DanMAX_pxrd2d] Detector: src_psd_I=3.11498e+15 src_psd_ERR=4.22059e+12 src_psd_N=9.93775e+06 "src_mon.psd" Detector: src_div_I=3.11374e+15 src_div_ERR=4.21977e+12 src_div_N=9.93216e+06 "src_mon.div" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 16 [s] Warning: 541493 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: src_e_I=3.13313e+15 src_e_ERR=4.23293e+12 src_e_N=9.99786e+06 "src_mon.e" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 16 [s] Warning: 539751 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: oh_postmono_psd_I=0.0220097 oh_postmono_psd_ERR=3.2513e-05 oh_postmono_psd_N=3.60761e+06 "oh_postmono.psd" Detector: oh_postmono_div_I=0.0220212 oh_postmono_div_ERR=3.25206e-05 oh_postmono_div_N=3.60894e+06 "oh_postmono.div" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 16 [s] Warning: 539144 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: oh_postmono_e_I=0.0224001 oh_postmono_e_ERR=3.27999e-05 oh_postmono_e_N=3.6718e+06 "oh_postmono.e" Detector: eh_start_psd_I=0.0211823 eh_start_psd_ERR=3.19525e-05 eh_start_psd_N=3.25998e+06 "eh_start.psd" Detector: eh_start_div_I=0.0213207 eh_start_div_ERR=3.20565e-05 eh_start_div_N=3.28124e+06 "eh_start.div" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 16 [s] Warning: 548583 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: eh_start_e_I=0.021616 eh_start_e_ERR=3.22786e-05 eh_start_e_N=3.327e+06 "eh_start.e" Detector: imaging_psd_I=0.0212172 imaging_psd_ERR=3.19784e-05 imaging_psd_N=3.26552e+06 "imaging.psd" Detector: imaging_div_I=0.0213207 imaging_div_ERR=3.20565e-05 imaging_div_N=3.28124e+06 "imaging.div" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 16 [s] Warning: 548193 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: imaging_e_I=0.021616 imaging_e_ERR=3.22786e-05 imaging_e_N=3.327e+06 "imaging.e" Detector: pxrd2_psd_I=0.000900304 pxrd2_psd_ERR=6.79065e-06 pxrd2_psd_N=88401 "pxrd2.psd" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 16 [s] Warning: 539273 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: pxrd2_div_I=0.000883375 pxrd2_div_ERR=6.72193e-06 pxrd2_div_N=87159 "pxrd2.div" Detector: pxrd2_e_I=0.00161502 pxrd2_e_ERR=9.09962e-06 pxrd2_e_N=158909 "pxrd2.e" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 16 [s] Warning: 555073 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: 16 [s] Warning: 547835 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: 16 [s] Warning: 545116 events were removed in Component[48] Pilatus_2M=PSD_monitor() (negative time, miss next components, rounding errors, Nan, Inf). Detector: Pilatus_2M_I=8.11294e-05 Pilatus_2M_ERR=2.98869e-07 Pilatus_2M_N=816929 "Pilatus_2M.dat" Finally [MAXIV_DanMAX_pxrd2d: 1]. Time: 20 [s] 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/2022-12-01/McXtrace-1.x_CPU_MPICC_1e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr. Warning: 548350 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/2022-12-01/McXtrace-1.x_CPU_MPICC_1e7/MAXIV_DanMAX_pxrd2d/MAXIV_DanMAX_pxrd2d.instr in dataset 1