INFO: Using directory: "1"
INFO: Using existing c-file: ./Test_SX.c
INFO: Using existing binary: ./Test_SX.out
INFO: ===
Simulation 'Test_SX' (Test_SX.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 6. Will use device 0.
Have found 1 GPU devices on rank 0. Will use device 0.
Test_SX: Using Single_crystal (pure diffraction)
Opening input file '/u/data/pkwi/WORK/micromamba/envs/mcxtrace-dev/share/mcxtrace/resources/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 '/u/data/pkwi/WORK/micromamba/envs/mcxtrace-dev/share/mcxtrace/resources/data/Mo.lau' (Table_Read_Offset)
Have found 1 GPU devices on rank 3. Will use device 0.
Have found 1 GPU devices on rank 4. Will use device 0.
Have found 1 GPU devices on rank 5. Will use device 0.
Have found 1 GPU devices on rank 2. Will use device 0.
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 '/u/data/pkwi/WORK/micromamba/envs/mcxtrace-dev/share/mcxtrace/resources/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]

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







Detector: psd4pi_I=2.47556e-13 psd4pi_ERR=3.31337e-15 psd4pi_N=998617 "psd4pi.dat"
Detector: psd_Diff_I=0 psd_Diff_ERR=0 psd_Diff_N=0 "psd4pi_diff.dat"
INFO: Placing instr file copy Test_SX.instr in dataset 1
INFO: Placing generated c-code copy Test_SX.c in dataset 1
