INFO: Using directory: "2"
INFO: Using existing c-file: ./Test_SX.c
INFO: Using existing binary: ./Test_SX.out
INFO: ===
Simulation 'Test_SX' (Test_SX.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1).
Test_SX: Using FluoCrystal    (fluorescence+diffraction)
Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Mo.lau' (Table_Read_Offset)
Single_crystal: sample: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667
Single_crystal: sample: WARNING: material file NULL not found. Absorption set to 0.
Single_crystal: sample: Read 1480 reflections from file 'Mo.lau'
Single_crystal: sample: Vc=31.1667 [Angs^3] sigma_inc=0.08 [barn] reflections=Mo.lau
Direct space lattice orientation:
  a  = [0 3.147 1.92698e-16]
  b  = [0 0 3.147]
  c  = [3.147 1.92698e-16 1.92698e-16]
Reciprocal space lattice orientation:
  a* = [-1.22254e-16 1.99656 0]
  b* = [-1.22254e-16 -1.22254e-16 1.99656]
  c* = [1.99656 0 0]
FluoCrystal: sampleF: found material Mo from file Mo.lau
Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Mo.lau' (Table_Read_Offset)
Single_crystal: sampleF: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667
FluoCrystal: sampleF: Read 1480 reflections from file 'Mo.lau'
Direct space lattice orientation: Vc=31.1667 [Angs^3]
  a  = [0 3.147 1.92698e-16]
  b  = [0 0 3.147]
  c  = [3.147 1.92698e-16 1.92698e-16]
Reciprocal space lattice orientation:
  a* = [-1.22254e-16 1.99656 0]
  b* = [-1.22254e-16 -1.22254e-16 1.99656]
  c* = [1.99656 0 0]
sampleF: Material Mo mass fractions:
  |  1e+02 %: Z= 42  Mo       96 [g/mol]     10.2 [g/cm3]
sampleF: Material Mo M=95.95 [g/mol] density=10.22 [g/cm3] rho=0.0641441 [at/Angs-3]
WARNING: FluoCrystal: sampleF: The target is not defined. Using 4PI for fluorescence.
Fluorescence: INFO: FluoG: found material Mo from file Mo.lau
FluoG: Material Mo mass fractions:
  |  1e+02 %: Z= 42  Mo       96 [g/mol]     10.2 [g/cm3]
FluoG: Material Mo M=95.95 [g/mol] density=10.22 [g/cm3] rho=0.0641441 [at/Angs-3]
Fluorescence: FluoG: The target is not defined. Using 4PI.
Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Mo.lau' (Table_Read_Offset)
Single_crystal: SX: Mo.lau structure a=3.147 b=3.147 c=3.147 aa=90 bb=90 cc=90 V0=31.1667
Single_crystal: SX: WARNING: material file NULL not found. Absorption set to 0.
Single_crystal: SX: Read 1480 reflections from file 'Mo.lau'
Single_crystal: SX: Vc=31.1667 [Angs^3] sigma_inc=0 [barn] reflections=Mo.lau
Direct space lattice orientation:
  a  = [0 3.147 1.92698e-16]
  b  = [0 0 3.147]
  c  = [3.147 1.92698e-16 1.92698e-16]
Reciprocal space lattice orientation:
  a* = [-1.22254e-16 1.99656 0]
  b* = [-1.22254e-16 -1.22254e-16 1.99656]
  c* = [1.99656 0 0]
*** TRACE end *** 
Detector: psd4pi_I=4.8707e-13 psd4pi_ERR=1.75173e-15 psd4pi_N=986675 "psd4pi.dat"
Detector: psd_Diff_I=6.06547e-14 psd_Diff_ERR=1.38384e-15 psd_Diff_N=25104 "psd4pi_diff.dat"
FluoCrystal: sampleF: scattered intensity: fluo=1.21135e-13 Compton=4.50739e-18 Rayleigh=8.08082e-14 Diffraction=6.48483e-14
INFO: Placing instr file copy Test_SX.instr in dataset 2
INFO: Placing generated c-code copy Test_SX.c in dataset 2