INFO: Using directory: "9" INFO: Using existing c-file: ./Test_Powders.c INFO: Using existing binary: ./Test_Powders.out INFO: === Simulation 'Test_PowderN' (Test_Powders.instr): running on 2 nodes (master is 'sjc20-cw715-56decdc7-cd41-4df3-9fe5-4d96d83bc84e-2E412DA75231.local', MPI version 3.1). [Test_PowderN] Initialize [Test_PowderN] Initialize ./Test_Powders.c: INFO: Converting Al.cif into F2(HKL) list /var/tmp/tmp.0.KIfvLc cif2hkl -o /var/tmp/tmp.0.KIfvLc --mode NUC Al.cif Opening input file '/var/tmp/tmp.0.KIfvLc' (Table_Read_Offset) Table from file '/var/tmp/tmp.0.KIfvLc' (block 1) is 149 x 6 (x=1:16), constant step. interpolation: linear '# TITLE Al4 [Cubic, Centric (-1 at origin)];# a b ...' PowderN: Pow_PowderN: Reading 149 rows from Al.cif PowderN: Pow_PowderN: Read 149 reflections from file 'Al.cif' PowderN: Pow_PowderN: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif ./Test_Powders.c: INFO: Converting Al.cif into F2(HKL) list /var/tmp/tmp.1.eYNvQA cif2hkl -o /var/tmp/tmp.1.eYNvQA --xtal --mode NUC Al.cif Opening input file '/var/tmp/tmp.1.eYNvQA' (Table_Read_Offset) Mode: lengths and angles Single_crystal: Al.cif structure a=4.0339 b=4.0339 c=4.0339 aa=90 bb=90 cc=90 V0=65.641 Single_crystal: Pow_Single_crystal: Read 4476 reflections from file 'Al.cif' Single_crystal: Pow_Single_crystal: Vc=65.641 [Angs] sigma_abs=0.924 [barn] sigma_inc=0.03294 [barn] reflections=Al.cif Direct space lattice orientation: a = [0 4.0339 2.47005e-16] b = [0 0 4.0339] c = [4.0339 2.47005e-16 2.47005e-16] Reciprocal space lattice orientation: a* = [-9.53752e-17 1.5576 0] b* = [-9.53752e-17 -9.53752e-17 1.5576] c* = [1.5576 0 0] NCrystal: McStas sample component(s) are using version 4.2.10 of the NCrystal library. *** TRACE end *** Save [Test_PowderN] Detector: Sph_mon_I=9.98606e+07 Sph_mon_ERR=240546 Sph_mon_N=894335 "Sphere.dat" Detector: psd_mon_I=170304 psd_mon_ERR=9581.77 psd_mon_N=807 "PSD.dat" Finally [Test_PowderN: 9]. Time: 0 [s] Finally [Test_PowderN: 9]. Time: 0 [s] INFO: Placing instr file copy Test_Powders.instr in dataset 9 INFO: Placing generated c-code copy Test_Powders.c in dataset 9