INFO: Using directory: "5" INFO: Using existing c-file: ./Test_Powders.c INFO: Using existing binary: ./Test_Powders.out INFO: === -------------------------------------------------------------------------- WARNING: Linux kernel CMA support was requested via the btl_vader_single_copy_mechanism MCA variable, but CMA support is not available due to restrictive ptrace settings. The vader shared memory BTL will fall back on another single-copy mechanism if one is available. This may result in lower performance. Local host: runnervm6qbrg -------------------------------------------------------------------------- Simulation 'Test_PowderN' (Test_Powders.instr): running on 2 nodes (master is 'runnervm6qbrg', MPI version 3.1). [Test_PowderN] Initialize [Test_PowderN] Initialize ./Test_Powders.c: INFO: Converting Ge.cif into F2(HKL) list /tmp/fileWcsrds cif2hkl -o /tmp/fileWcsrds --mode NUC Ge.cif Opening input file '/tmp/fileWcsrds' (Table_Read_Offset) Table from file '/tmp/fileWcsrds' (block 1) is 328 x 6 (x=1:22), constant step. interpolation: linear '# TITLE Ge8 [Cubic, Centric (-1 not at origin) Gen(-1):-x+1/4,-y+1/4,-z+ ...' PowderN: Pow_PowderN: Reading 328 rows from Ge.cif PowderN: Pow_PowderN: Read 328 reflections from file 'Ge.cif' PowderN: Pow_PowderN: Vc=181.085 [Angs] sigma_abs=17.6 [barn] sigma_inc=1.44001 [barn] reflections=Ge.cif ./Test_Powders.c: INFO: Converting Ge.cif into F2(HKL) list /tmp/file3pNn6P cif2hkl -o /tmp/file3pNn6P --xtal --mode NUC Ge.cif Opening input file '/tmp/file3pNn6P' (Table_Read_Offset) Mode: lengths and angles Single_crystal: Ge.cif structure a=5.65754 b=5.65754 c=5.65754 aa=90 bb=90 cc=90 V0=181.085 Single_crystal: Pow_Single_crystal: Read 11462 reflections from file 'Ge.cif' Single_crystal: Pow_Single_crystal: Vc=181.085 [Angs] sigma_abs=17.6 [barn] sigma_inc=1.44001 [barn] reflections=Ge.cif Direct space lattice orientation: a = [0 5.65754 3.46424e-16] b = [0 0 5.65754] c = [5.65754 3.46424e-16 3.46424e-16] Reciprocal space lattice orientation: a* = [-6.80038e-17 1.11059 0] b* = [-6.80038e-17 -6.80038e-17 1.11059] c* = [1.11059 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=4.67868e+08 Sph_mon_ERR=979434 Sph_mon_N=229941 "Sphere.dat" Finally [Test_PowderN: 5]. Time: 0 [s] Detector: psd_mon_I=859741 psd_mon_ERR=42592.6 psd_mon_N=409 "PSD.dat" Finally [Test_PowderN: 5]. Time: 0 [s] [runnervm6qbrg:22895] 1 more process has sent help message help-btl-vader.txt / cma-permission-denied [runnervm6qbrg:22895] Set MCA parameter "orte_base_help_aggregate" to 0 to see all help / error messages INFO: Placing instr file copy Test_Powders.instr in dataset 5 INFO: Placing generated c-code copy Test_Powders.c in dataset 5