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Expand Up @@ -89,38 +89,38 @@ Solves a 2D Laplace problem using Finite Differences methods. The code is adapte

Runs a molecular dynamics simulation. The code is adapted from examples written by [J. Burkardt](https://people.sc.fsu.edu/~jburkardt/py_src/py_src.html)
## Development branch results
### Performance Comparison (as of Tue May 7 14:59:28 UTC 2024)
### Performance Comparison (as of Tue May 7 21:00:37 UTC 2024)
## Compilation time
Algorithm | python | pythran_gnu | pythran_intel | numba | pyccel_fortran_gnu | pyccel_c_gnu | pyccel_fortran_intel | pyccel_c_intel
------------------------- | ------------------------- | ------------------------- | ------------------------- | ------------------------- | ------------------------- | ------------------------- | ------------------------- | -------------------------
Ackermann | - | 2.35 | - | 0.33 | 1.27 | 1.23 | 1.34 | 1.33
Bellman Ford | - | 3.51 | - | 1.12 | 3.63 | 3.90 | 3.79 | 4.42
Dijkstra | - | 2.53 | - | 1.61 | 3.67 | 3.91 | 3.84 | 4.48
Euler | - | 2.80 | - | 2.06 | 3.58 | 3.89 | 3.70 | 4.38
Midpoint Explicit | - | 3.28 | - | 3.11 | 3.90 | 4.20 | 4.19 | 4.82
Midpoint Fixed | - | 3.63 | - | 3.24 | 3.91 | 4.24 | 4.05 | 4.72
RK4 | - | 3.89 | - | 3.82 | 4.37 | 4.59 | 4.45 | 5.09
FD - L Convection | - | 2.45 | - | 0.88 | 3.55 | 3.88 | 3.74 | 4.33
FD - NL Convection | - | 3.41 | - | 0.89 | 3.56 | 3.91 | 3.75 | 4.39
FD - Poisson | - | 3.47 | - | 1.35 | 3.65 | 3.96 | 4.24 | 4.38
FD - Laplace | - | 6.76 | - | 3.10 | 4.01 | 4.35 | 4.29 | 4.90
M-D | - | 6.47 | - | 4.12 | 4.39 | 4.48 | 4.58 | 5.33
Ackermann | - | 2.47 | - | 0.34 | 1.32 | 1.30 | 1.42 | 1.38
Bellman Ford | - | 3.75 | - | 1.18 | 3.74 | 4.00 | 3.86 | 4.56
Dijkstra | - | 2.59 | - | 1.68 | 3.76 | 4.08 | 3.99 | 4.53
Euler | - | 2.96 | - | 2.18 | 3.75 | 4.07 | 3.85 | 4.55
Midpoint Explicit | - | 3.37 | - | 3.17 | 4.00 | 4.29 | 4.13 | 4.85
Midpoint Fixed | - | 3.77 | - | 3.49 | 4.06 | 4.42 | 4.28 | 4.96
RK4 | - | 4.15 | - | 3.98 | 4.57 | 4.90 | 4.69 | 5.37
FD - L Convection | - | 2.61 | - | 0.94 | 3.73 | 4.06 | 3.85 | 4.56
FD - NL Convection | - | 3.67 | - | 0.94 | 3.68 | 4.02 | 3.90 | 4.53
FD - Poisson | - | 3.63 | - | 1.43 | 3.80 | 4.10 | 4.41 | 4.54
FD - Laplace | - | 7.29 | - | 3.30 | 4.22 | 4.50 | 4.39 | 5.10
M-D | - | 6.88 | - | 4.28 | 4.51 | 4.69 | 4.77 | 5.53

## Execution time
Algorithm | python | pythran_gnu | pythran_intel | numba | pyccel_fortran_gnu | pyccel_c_gnu | pyccel_fortran_intel | pyccel_c_intel
------------------------- | ------------------------- | ------------------------- | ------------------------- | ------------------------- | ------------------------- | ------------------------- | ------------------------- | -------------------------
Ackermann (ms) | 300.00 | 2.95 | - | 9.75 | 1.50 | 1.54 | 7.45 | 4.33
Bellman Ford (ms) | 1860.00 | 4.16 | - | 3.92 | 2.93 | 6.07 | 4.04 | 18.50
Dijkstra (ms) | 4920.00 | 24.80 | - | 19.90 | 18.00 | 30.40 | 24.10 | 23.30
Euler (ms) | 4010.00 | 28.20 | - | 39.50 | 15.90 | 142.00 | 14.10 | 128.00
Midpoint Explicit (ms) | 8180.00 | 59.30 | - | 85.00 | 23.00 | 280.00 | 16.90 | 253.00
Midpoint Fixed (ms) | 41300.00 | 260.00 | - | 378.00 | 74.60 | 1410.00 | 62.00 | 1250.00
RK4 (ms) | 20300.00 | 162.00 | - | 147.00 | 34.20 | 486.00 | 38.70 | 407.00
FD - L Convection (ms) | 2270.00 | 1.78 | - | 2.69 | 1.48 | 1.62 | 1.51 | 3.67
FD - NL Convection (ms) | 2800.00 | 1.84 | - | 2.82 | 1.81 | 1.98 | 1.53 | 3.75
FD - Poisson (ms) | 6410.00 | 3.00 | - | 7.20 | 2.80 | 3.85 | 2.68 | 7.09
FD - Laplace (ms) | 590.00 | 67.50 | - | 244.00 | 62.50 | 258.00 | 64.40 | 333.00
M-D (ms) | 14900.00 | 15.20 | - | 59.60 | 53.60 | 59.50 | 78.80 | 63.20
Ackermann (ms) | 297.00 | 2.95 | - | 9.59 | 1.55 | 1.54 | 7.41 | 4.33
Bellman Ford (ms) | 1850.00 | 4.18 | - | 3.90 | 2.98 | 6.07 | 4.21 | 18.60
Dijkstra (ms) | 5000.00 | 23.60 | - | 20.60 | 18.30 | 32.50 | 24.60 | 22.70
Euler (ms) | 3860.00 | 28.80 | - | 37.80 | 16.10 | 143.00 | 14.20 | 129.00
Midpoint Explicit (ms) | 7870.00 | 59.40 | - | 84.30 | 24.30 | 283.00 | 15.90 | 253.00
Midpoint Fixed (ms) | 39800.00 | 330.00 | - | 384.00 | 74.90 | 1400.00 | 65.60 | 1240.00
RK4 (ms) | 20100.00 | 163.00 | - | 144.00 | 38.30 | 488.00 | 39.50 | 408.00
FD - L Convection (ms) | 2310.00 | 1.64 | - | 2.65 | 1.50 | 1.85 | 1.31 | 3.69
FD - NL Convection (ms) | 2800.00 | 1.83 | - | 2.81 | 1.80 | 1.99 | 1.39 | 3.71
FD - Poisson (ms) | 6390.00 | 2.96 | - | 7.20 | 2.77 | 3.85 | 2.66 | 7.68
FD - Laplace (ms) | 599.00 | 68.00 | - | 247.00 | 62.10 | 258.00 | 59.70 | 328.00
M-D (ms) | 14900.00 | 15.20 | - | 58.80 | 53.60 | 59.70 | 78.00 | 62.40

![Development compilation results](./version_specific_results/devel_performance_310_compilation.svg)
![Development execution results](./version_specific_results/devel_performance_310_execution.svg)
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