INFO: Using directory: "1" INFO: Regenerating c-file: MAXIV_DanMAX_pxrd1d.c CFLAGS= -I@MCCODE_LIB@/miniconda3/include -L@MCCODE_LIB@/miniconda3/lib -lgsl -lgslcblas -DFUNNEL -std=c99 WARNING: The parameter format of powdern is intitalized 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 intitalized 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_pxrd1d.out ./MAXIV_DanMAX_pxrd1d.c: In function ‘sighandler’: ./MAXIV_DanMAX_pxrd1d.c:5384:5: warning: implicit declaration of function ‘kill’ [-Wimplicit-function-declaration] kill(0, SIGKILL); /* kill myself if error occurs within sighandler: loops */ ^ ./MAXIV_DanMAX_pxrd1d.c: In function ‘reflec_Init’: ./MAXIV_DanMAX_pxrd1d.c:11565:17: 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_pxrd1d.instr" INFO: === Simulation 'MAXIV_DanMAX_pxrd1d' (/zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6.1_CPU_MPICC_1e7/MAXIV_DanMAX_pxrd1d/MAXIV_DanMAX_pxrd1d.instr): running on 12 nodes (master is 'n-62-31-9', 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. 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. 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 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. 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. 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 banana theta limits=[-2.41103 113.318] bins=30720 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 banana theta limits=[-2.41103 113.318] bins=30720 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 banana theta limits=[-2.41103 113.318] bins=30720 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 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 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 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 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 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 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 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 z ml mono offset is: 0, z si mono offset is: 0.088647 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) [MAXIV_DanMAX_pxrd1d] 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 banana theta limits=[-2.41103 113.318] bins=30720 INFO: DanMAX_undulator: fundamental energy: 3.004, harmonic= 5, target energy= 15 INFO: DanMAX: PXRD 1d-strip prms: 0.064 0.008 4.82206 0 [MAXIV_DanMAX_pxrd1d] Initialize Undulator (dmu) (K,B)=f(E1st=3.004)= (1.24755 , 0.83506) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/C-diamond.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/Si.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/FormFactors.txt' (Table_Read_Offset) Reusing input file 'Si.txt' (Table_Read_Offset) Reusing input file 'FormFactors.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/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' 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' 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' 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/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/Be.txt' (Table_Read_Offset) Opening input file '/zhome/7c/9/7041/McXtrace/mcxtrace/1.6.1/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/7c/9/7041/McXtrace/mcxtrace/1.6.1/tools/Python/mxrun/../mccodelib/../../../data/lab6.abs' (Table_Read_Offset) Trace ETA 13 [s] % 84 Trace ETA 13 [s] % 84 Trace ETA 13 [s] % 84 Trace ETA 13 [s] % 84 Trace ETA 12 [s] % 84 Trace ETA 13 [s] % 83 Trace ETA 13 [s] % 84 Trace ETA 13 [s] % 84 Trace ETA 13 [s] % Trace ETA 13 [s] % 84 82 Trace ETA 12 [s] % 84 Trace ETA 12 [s] % 84 90 90 90 90 90 90 90 90 90 90 90 90 *** TRACE end *** Save [MAXIV_DanMAX_pxrd1d] Detector: src_psd_I=3.12757e+15 src_psd_ERR=4.22946e+12 src_psd_N=9.99633e+06 "src_mon.psd" Detector: src_div_I=3.12836e+15 src_div_ERR=4.23e+12 src_div_N=1e+07 "src_mon.div" Detector: src_e_I=3.12836e+15 src_e_ERR=4.23e+12 src_e_N=1e+07 "src_mon.e" Detector: oh_postmono_psd_I=0.0221093 oh_postmono_psd_ERR=3.26068e-05 oh_postmono_psd_N=3.55697e+06 "oh_postmono.psd" Detector: oh_postmono_div_I=0.0223497 oh_postmono_div_ERR=3.27654e-05 oh_postmono_div_N=3.6707e+06 "oh_postmono.div" Detector: oh_postmono_e_I=0.0223497 oh_postmono_e_ERR=3.27654e-05 oh_postmono_e_N=3.6707e+06 "oh_postmono.e" Detector: eh_start_psd_I=0.0131054 eh_start_psd_ERR=2.25306e-05 eh_start_psd_N=2.13141e+06 "eh_start.psd" Detector: eh_start_div_I=0.0131193 eh_start_div_ERR=2.25447e-05 eh_start_div_N=2.13451e+06 "eh_start.div" Detector: eh_start_e_I=0.0131193 eh_start_e_ERR=2.25447e-05 eh_start_e_N=2.13451e+06 "eh_start.e" Detector: imaging_psd_I=0.0131054 imaging_psd_ERR=2.25306e-05 imaging_psd_N=2.13141e+06 "imaging.psd" Detector: imaging_div_I=0.0131193 imaging_div_ERR=2.25447e-05 imaging_div_N=2.13451e+06 "imaging.div" Detector: imaging_e_I=0.0131193 imaging_e_ERR=2.25447e-05 imaging_e_N=2.13451e+06 "imaging.e" Detector: pxrd1_psd_I=0.00154809 pxrd1_psd_ERR=8.70715e-06 pxrd1_psd_N=161625 "pxrd1.psd" Detector: pxrd1_div_I=0.00154809 pxrd1_div_ERR=8.70715e-06 pxrd1_div_N=161625 "pxrd1.div" Detector: pxrd1_e_I=0.00154809 pxrd1_e_ERR=8.70715e-06 pxrd1_e_N=161625 "pxrd1.e" Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Detector: dm_strip_banana_I=1.47979e-06 dm_strip_banana_ERR=9.27391e-09 dm_strip_banana_N=207622 "dm_strip_banana.th" Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] Finally [MAXIV_DanMAX_pxrd1d: 1]. Time: 13 [s] INFO: Placing instr file copy /zhome/7c/9/7041/TESTS/2022-01-06/McXtrace-1.6.1_CPU_MPICC_1e7/MAXIV_DanMAX_pxrd1d/MAXIV_DanMAX_pxrd1d.instr in dataset 1 loading system configuration loading override configuration from /zhome/7c/9/7041/McXtrace/mcxtrace/1.5/tools/Python/mctest/../mccodelib/mcxtrace-test/McXtrace-1.6.1_CPU_MPICC/mccode_config.json