INFO: Using directory: "4"
INFO: Using existing c-file: ./Test_FluoPowder.c
INFO: Using existing binary: ./Test_FluoPowder.out
WARNING: Ignoring invalid parameter: "Test_FluoPowder.instr"
INFO: ===
Simulation 'Test_FluoPowder' (Test_FluoPowder.instr): running on 16 nodes (master is 'elearn1.fysik.dtu.dk', MPI version 3.1).
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
Test_FluoPowder: Using Fluorescence (pure fluorescence)
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
./Test_FluoPowder.c: INFO: Converting LaB6.cif into F2(HKL) list /tmp/filewa8bXu
cif2hkl -o /tmp/filewa8bXu --mode XRA /home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6.cif
Opening input file '/tmp/filewa8bXu' (Table_Read_Offset)
Table from file '/tmp/filewa8bXu' (block 1) is 545 x 6 (x=1:16), constant step. interpolation: linear
  '# TITLE  La1 B6 [Cubic, Centric (-1 at origin)];#        a         b        ...'
PowderN: Pow: Read 545 reflections from file 'LaB6.cif'
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
./Test_FluoPowder.c: INFO: Converting LaB6.cif into F2(HKL) list /tmp/fileP4PHya
cif2hkl -o /tmp/fileP4PHya --xtal --mode XRA /home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6.cif
Opening input file '/tmp/fileP4PHya' (Table_Read_Offset)
Single_crystal: SX: LaB6.cif structure a=4.1576 b=4.1576 c=4.1576 aa=90 bb=90 cc=90 V0=71.8668
Opening input file '/home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/Si.txt' (Table_Read_Offset)
Single_crystal: SX: Read 19308 reflections from file 'LaB6.cif'
Single_crystal: SX: Vc=71.8668 [Angs^3] sigma_inc=0 [barn] reflections=LaB6.cif
Direct space lattice orientation:
  a  = [0 4.1576 2.5458e-16]
  b  = [0 0 4.1576]
  c  = [4.1576 2.5458e-16 2.5458e-16]
Reciprocal space lattice orientation:
  a* = [-9.25376e-17 1.51125 0]
  b* = [-9.25376e-17 -9.25376e-17 1.51125]
  c* = [1.51125 0 0]
INFO: FluoPowder: FL_pow: found material B6La from file LaB6.cif
 
 
 
 
 
 
 
 
 
 
 
./Test_FluoPowder.c: INFO: Converting LaB6.cif into F2(HKL) list /tmp/fileNWqdzo
cif2hkl -o /tmp/fileNWqdzo --mode XRA /home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6.cif
Opening input file '/tmp/fileNWqdzo' (Table_Read_Offset)
 
 
 
 
 
Table from file '/tmp/fileNWqdzo' (block 1) is 545 x 6 (x=1:16), constant step. interpolation: linear
  '# TITLE  La1 B6 [Cubic, Centric (-1 at origin)];#        a         b        ...'
PowderN: FL_pow: Read 545 reflections from file 'LaB6.cif'
FL_pow: Material B6La mass fractions:
  |     32 %: Z=  5   B     10.8 [g/mol]     2.37 [g/cm3]
  |     68 %: Z= 57  La      139 [g/mol]     6.15 [g/cm3]
FL_pow: Material B6La M=203.78 [g/mol] density=4.94961 [g/cm3] rho=0.0146272 [at/Angs-3]
WARNING: FluoPowder: FL_pow: The target is not defined. Using 4PI for fluorescence.
Fluorescence: INFO: Fluo: found material B6La from file LaB6.cif
Fluorescence: INFO: FluoG: found material B6La from file LaB6.cif
Fluo: Material B6La mass fractions:
  |     32 %: Z=  5   B     10.8 [g/mol]     2.37 [g/cm3]
  |     68 %: Z= 57  La      139 [g/mol]     6.15 [g/cm3]
Fluo: Material B6La M=203.78 [g/mol] density=4.94961 [g/cm3] rho=0.0146272 [at/Angs-3]
Fluorescence: Fluo: The target is not defined. Using 4PI.
FluoG: Material B6La mass fractions:
  |     32 %: Z=  5   B     10.8 [g/mol]     2.37 [g/cm3]
  |     68 %: Z= 57  La      139 [g/mol]     6.15 [g/cm3]
FluoG: Material B6La M=203.78 [g/mol] density=4.94961 [g/cm3] rho=0.0146272 [at/Angs-3]
Fluorescence: FluoG: The target is not defined. Using 4PI.
 
 
 
 
 
 
 
 
 
 
./Test_FluoPowder.c: INFO: Converting LaB6.cif into F2(HKL) list /tmp/fileLhhDeE
cif2hkl -o /tmp/fileLhhDeE --mode XRA /home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6.cif
Opening input file '/tmp/fileLhhDeE' (Table_Read_Offset)
Table from file '/tmp/fileLhhDeE' (block 1) is 545 x 6 (x=1:16), constant step. interpolation: linear
  '# TITLE  La1 B6 [Cubic, Centric (-1 at origin)];#        a         b        ...'
PowderN: PowG: Read 545 reflections from file 'LaB6.cif'
 
 
 
 
 
 
*** TRACE end *** 

Save [Test_FluoPowder]
Detector: Sph_mon_I=7.58212e-19 Sph_mon_ERR=1.06934e-21 Sph_mon_N=777935 "Sphere.dat"
Detector: Sph_mon_pow_I=0 Sph_mon_pow_ERR=0 Sph_mon_pow_N=0 "Sphere_pow.dat"
Detector: Sph_mon_flu_I=7.58212e-19 Sph_mon_flu_ERR=1.06934e-21 Sph_mon_flu_N=777935 "Sphere_fluo.dat"
Detector: E_mon_I=7.58212e-19 E_mon_ERR=1.06934e-21 E_mon_N=777935 "Energy.E"
Detector: E_mon_pow_I=0 E_mon_pow_ERR=0 E_mon_pow_N=0 "Energy_pow.E"
Detector: E_mon_flu_I=7.58212e-19 E_mon_flu_ERR=1.06934e-21 E_mon_flu_N=777935 "Energy_flu.E"

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 

Finally [Test_FluoPowder: 4]. Time: 9 [s] 
Detector: det_angle_I=2.11253e-20 det_angle_ERR=2.47372e-22 det_angle_N=15314 "det_angle_1747193486.th"

Finally [Test_FluoPowder: 4]. Time: 9 [s] 
INFO: Fluo: scattered intensity: fluo=3.26269e-20 Compton=4.73637e-22 Rayleigh=1.18233e-20
INFO: Placing instr file copy Test_FluoPowder.instr in dataset 4
INFO: Placing generated c-code copy Test_FluoPowder.c in dataset 4