INFO: Using directory: "7" INFO: Using existing c-file: ./Test_PowderN.c INFO: Using existing binary: ./Test_PowderN.out WARNING: Ignoring invalid parameter: "Test_PowderN.instr" INFO: === Simulation 'Test_PowderN' (Test_PowderN.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1). [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize [Test_PowderN] Initialize 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: Pow: Reading 1453 rows from LaB6_660b_AVID2.hkl PowderN: Pow: 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: Pow: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' PowderN: Pow: WARNING: You have requested statistics for incoherent scattering but not set a material datafile ('NULL') nor defined sigma_inc! Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6_660b_AVID2.hkl' (Table_Read_Offset) Single_crystal: LaB6_660b_AVID2.hkl structure a=4.1569 b=4.1569 c=4.1569 aa=90 bb=90 cc=90 V0=71.8305 Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.txt' (Table_Read_Offset) Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Read 1453 reflections from file 'LaB6_660b_AVID2.hkl' Single_crystal: SX: Vc=71.8305 [Angs] sigma_inc=0 [barn] reflections=LaB6_660b_AVID2.hkl Direct space lattice orientation: a = [0 4.1569 2.54537e-16] b = [0 0 4.1569] c = [4.1569 2.54537e-16 2.54537e-16] Reciprocal space lattice orientation: a* = [-9.25531e-17 1.51151 0] b* = [-9.25531e-17 -9.25531e-17 1.51151] c* = [1.51151 0 0] PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. Trace ETA (16 MPI processes) 27 [s] % 40 % PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. 50 % 60 % 70 % 80 % 90 % PowderN: Pow: WARNING: Did not hit sample from inside (coh). ABSORB. *** TRACE end *** Save [Test_PowderN] Detector: Sph_mon_I=7.94383e-10 Sph_mon_ERR=3.30201e-14 Sph_mon_N=1e+09 "Sphere.dat" Detector: detector2_I=7.88164e-10 detector2_ERR=3.29852e-14 detector2_N=9.10042e+08 "psd2.dat" Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] Detector: det_angle_I=5.71709e-14 det_angle_ERR=1.72601e-16 det_angle_N=283641 "det_angle_1729743143.th" Finally [Test_PowderN: 7]. Time: 28 [s] Finally [Test_PowderN: 7]. Time: 28 [s] INFO: Placing instr file copy Test_PowderN.instr in dataset 7 INFO: Placing generated c-code copy Test_PowderN.c in dataset 7