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gpu_dsm's Issues

Bug in G(t) calculation

Error in calculation of G(t)

input.dat

        34.8
        460
        5000
        0.0     0.0 0.0 0.0     0.0     0.0     0.0     0.0     0.0
        1
        1
        1.0
        50

! Input file for linear monodisperse chains
!Line by line description of input:
! 1) + 2) theory parameters - for detailed description see Schieber et al., J.
! 1) Beta --- entanglement spacing
! 2) NK --- number of chain segments on the chain
! 3) N_cha --- number of chains (ensemble size)
! 4) Transpose of imposed velocity gradient, kappa. (1/(\tau_K))
! 5) CD toggle
! 6) G(t) flag. Toggle G(t) calculation, works only if kappa=0
! 7) Syncronization time (\tau_K). How often stress is calculated. Cannot be le
! 8) Total simulation time (\tau_K)

Output

 ./gpu_DSM 

device Count 1 
Using device 0: GeForce GTX 780

simulation parameters:
NK  Beta    N_cha
460 34.8    5000
deformation tensor:
0   0   0
0   0   0
0   0   0
G(t) calculation is on
simulation time, sync time
100 1

generating chain conformations on host..done
preparing GPU chain conformations..
 device constants done

 GPU random generator init: 
  device random generators 1 seeding...done
  device random generators 2 seeding...done
  preparing random number sequence...done
 GPU random generator init done.

 Number of ensemble blocks 1
  copying chains to device block 1. chains in the ensemble block 5000
 device chains done
init done
G(t) calc...
G(t) calc done
0   inf
1   inf
2   inf
3   inf
4   inf
6   inf
8   inf
10  inf
12  inf
16  inf
20  inf
24  inf
28  inf
36  inf
44  inf
Memory cleanup.. done.
Calculation time: 143.613 milliseconds

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