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 7 nodes (master is 'hypatia.fysik.dtu.dk', MPI version 3.1).
Have found 1 GPU devices on rank 1. Will use device 0.
Have found 1 GPU devices on rank 2. Will use device 0.
Have found 1 GPU devices on rank 5. Will use device 0.
Have found 1 GPU devices on rank 4. Will use device 0.
Have found 1 GPU devices on rank 3. Will use device 0.
Have found 1 GPU devices on rank 0. Will use device 0.
Test_FluoPowder: Using FluoPowder (fluorescence+diffraction)
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
[Test_FluoPowder] Initialize
Have found 1 GPU devices on rank 6. Will use device 0.
[Test_FluoPowder] Initialize
 
 
 
 
 
./Test_FluoPowder.c: INFO: Converting LaB6.cif into F2(HKL) list /tmp/filewlURZS
cif2hkl -o /tmp/filewlURZS --mode XRA /u/data/pkwi/WORK/micromamba/envs/mcxtrace-dev/share/mcxtrace/resources/data/LaB6.cif
Opening input file '/tmp/filewlURZS' (Table_Read_Offset)
 
 
Table from file '/tmp/filewlURZS' (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/file4w0xcE
cif2hkl -o /tmp/file4w0xcE --xtal --mode XRA /u/data/pkwi/WORK/micromamba/envs/mcxtrace-dev/share/mcxtrace/resources/data/LaB6.cif
Opening input file '/tmp/file4w0xcE' (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 '/u/data/pkwi/WORK/micromamba/envs/mcxtrace-dev/share/mcxtrace/resources/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/filehw6GED
cif2hkl -o /tmp/filehw6GED --mode XRA /u/data/pkwi/WORK/micromamba/envs/mcxtrace-dev/share/mcxtrace/resources/data/LaB6.cif
Opening input file '/tmp/filehw6GED' (Table_Read_Offset)
 
 
Table from file '/tmp/filehw6GED' (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/file1uCBiy
cif2hkl -o /tmp/file1uCBiy --mode XRA /u/data/pkwi/WORK/micromamba/envs/mcxtrace-dev/share/mcxtrace/resources/data/LaB6.cif
Opening input file '/tmp/file1uCBiy' (Table_Read_Offset)
 
 
 
Table from file '/tmp/file1uCBiy' (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'

NOTE: CPU COMPONENT grammar activated:
 1) "FUNNEL" raytrace algorithm enabled.
 2) Any SPLIT's are dynamically allocated based on available buffer size. 








Save [Test_FluoPowder]
Detector: Sph_mon_I=2.90443e-18 Sph_mon_ERR=1.57503e-20 Sph_mon_N=41353 "Sphere.dat"
Detector: Sph_mon_pow_I=2.27493e-18 Sph_mon_pow_ERR=1.28036e-20 Sph_mon_pow_N=32006 "Sphere_pow.dat"
Detector: Sph_mon_flu_I=6.29499e-19 Sph_mon_flu_ERR=9.17298e-21 Sph_mon_flu_N=9347 "Sphere_fluo.dat"
Detector: E_mon_I=2.90443e-18 E_mon_ERR=1.57503e-20 E_mon_N=41353 "Energy.E"
Detector: E_mon_pow_I=2.27493e-18 E_mon_pow_ERR=1.28036e-20 E_mon_pow_N=32006 "Energy_pow.E"
Detector: E_mon_flu_I=6.29499e-19 E_mon_flu_ERR=9.17298e-21 E_mon_flu_N=9347 "Energy_flu.E"
Detector: det_angle_I=1.3077e-19 det_angle_ERR=3.63737e-21 det_angle_N=1669 "det_angle_1783452729.th"
Detector: SDD_I=3.89078e-19 SDD_ERR=5.05124e-21 SDD_N=6404 "sdd.dat"
Detector: SDD_I=4.19382e-21 SDD_ERR=5.30905e-22 SDD_N=67 "Escape_sdd.dat"

Finally [Test_FluoPowder: 3]. Time: 14 [s] 
Detector: SDD_I=0 SDD_ERR=0 SDD_N=0 "PileUp_sdd.dat"

Finally [Test_FluoPowder: 3]. Time: 14 [s] 

Finally [Test_FluoPowder: 3]. Time: 14 [s] 

Finally [Test_FluoPowder: 3]. Time: 14 [s] 

Finally [Test_FluoPowder: 3]. Time: 14 [s] 

Finally [Test_FluoPowder: 3]. Time: 14 [s] 

Finally [Test_FluoPowder: 3]. Time: 14 [s] 
INFO: Placing instr file copy Test_FluoPowder.instr in dataset 3
INFO: Placing generated c-code copy Test_FluoPowder.c in dataset 3
