INFO: Using directory: "3"
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: Using FluoPowder (fluorescence+diffraction)
[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] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
./Test_FluoPowder.c: INFO: Converting LaB6.cif into F2(HKL) list /tmp/fileUuMamX
cif2hkl -o /tmp/fileUuMamX --mode XRA /home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6.cif
 
Opening input file '/tmp/fileUuMamX' (Table_Read_Offset)
Table from file '/tmp/fileUuMamX' (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/fileOF0p7q
cif2hkl -o /tmp/fileOF0p7q --xtal --mode XRA /home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6.cif
Opening input file '/tmp/fileOF0p7q' (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/fileSNlbIM
cif2hkl -o /tmp/fileSNlbIM --mode XRA /home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6.cif
Opening input file '/tmp/fileSNlbIM' (Table_Read_Offset)
 
 
 
 
 
Table from file '/tmp/fileSNlbIM' (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
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.
Fluorescence: INFO: FluoG: found material B6La from file LaB6.cif
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/fileoLX37D
cif2hkl -o /tmp/fileoLX37D --mode XRA /home/nexmap/pkwi/McXtrace/mcxtrace/3.x-dev/data/LaB6.cif
Opening input file '/tmp/fileoLX37D' (Table_Read_Offset)
 
 
 
 
 
Table from file '/tmp/fileoLX37D' (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=2.81284e-18 Sph_mon_ERR=2.97619e-21 Sph_mon_N=1.05588e+06 "Sphere.dat"
Detector: Sph_mon_pow_I=2.05604e-18 Sph_mon_pow_ERR=2.30354e-21 Sph_mon_pow_N=807742 "Sphere_pow.dat"
Detector: Sph_mon_flu_I=7.56802e-19 Sph_mon_flu_ERR=1.88452e-21 Sph_mon_flu_N=248137 "Sphere_fluo.dat"
Detector: E_mon_I=2.81284e-18 E_mon_ERR=2.97619e-21 E_mon_N=1.05588e+06 "Energy.E"
Detector: E_mon_pow_I=2.05604e-18 E_mon_pow_ERR=2.30354e-21 E_mon_pow_N=807742 "Energy_pow.E"
Detector: E_mon_flu_I=7.56802e-19 E_mon_flu_ERR=1.88452e-21 E_mon_flu_N=248137 "Energy_flu.E"

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 

Finally [Test_FluoPowder: 3]. Time: 10 [s] 
Detector: det_angle_I=1.22552e-19 det_angle_ERR=6.83044e-22 det_angle_N=42456 "det_angle_1747193474.th"

Finally [Test_FluoPowder: 3]. Time: 10 [s] 
INFO: FL_pow: scattered intensity: fluo=3.24493e-20 Compton=2.8208e-24 Rayleigh=1.59892e-20 Diffraction=1.37891e-19
INFO: Placing instr file copy Test_FluoPowder.instr in dataset 3
INFO: Placing generated c-code copy Test_FluoPowder.c in dataset 3