Computer Programs

NAME OR DESIGNATION OF PROGRAM, COMPUTER, DESCRIPTION OF PROGRAM OR FUNCTION, METHOD OF SOLUTION, RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM, TYPICAL RUNNING TIME, UNUSUAL FEATURES OF THE PROGRAM, RELATED AND AUXILIARY PROGRAMS, STATUS, REFERENCES, MACHINE REQUIREMENTS, LANGUAGE, OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED, OTHER PROGRAMMING OR OPERATING INFORMATION OR RESTRICTIONS, NAME AND ESTABLISHMENT OF AUTHORS, MATERIAL, CATEGORIES

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Program name | Package id | Status | Status date |
---|---|---|---|

PTRAN | CCC-0618/01 | Tested | 16-DEC-1994 |

Machines used:

Package ID | Orig. computer | Test computer |
---|---|---|

CCC-0618/01 | PC-80386 | PC-80486 |

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3. DESCRIPTION OF PROGRAM OR FUNCTION

PTRAN, Version 1.1, uses a Monte Carlo program to calculate the transport of proton beams through extended media. The PTRAN code uses 50 to 250 MeV beams through water phantoms. Multiple scattering and Coulomb interaction energy loss mechanisms are taken into account along with nonelastic nuclear interactions. PTRAN calculates deposition of energy as a function of depth and radial distance from the beam, energy spectra of the primary protons as function of depth. Both 1 and 3 dimensional calculations are available.

PTRAN, Version 1.1, uses a Monte Carlo program to calculate the transport of proton beams through extended media. The PTRAN code uses 50 to 250 MeV beams through water phantoms. Multiple scattering and Coulomb interaction energy loss mechanisms are taken into account along with nonelastic nuclear interactions. PTRAN calculates deposition of energy as a function of depth and radial distance from the beam, energy spectra of the primary protons as function of depth. Both 1 and 3 dimensional calculations are available.

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4. METHOD OF SOLUTION

The PTRAN system uses several cross-section preparation programs and two main codes, PTRAN3D and PTRAN1D. The heart of the calculations is the Monte Carlo model which is based on the condensed-random-walk method (BERGER, 1963), and takes into account the following types of events occurring in successive short track segments: (a) energy-loss straggling in Coulomb collisions with atomic electrons, (b) multiple-scattering deflections due to elastic scattering by atoms, and (c) energy loss in nonelastic nuclear reactions. Data preparation programs facilitate the sampling of energy losses (VAVILOV, 1957) and angular deflections (MOLIERE, 1948). The initial proton stopping powers and ranges in water use PSTAR (NISTIR 4999, RSIC PSR-330).

The PTRAN system uses several cross-section preparation programs and two main codes, PTRAN3D and PTRAN1D. The heart of the calculations is the Monte Carlo model which is based on the condensed-random-walk method (BERGER, 1963), and takes into account the following types of events occurring in successive short track segments: (a) energy-loss straggling in Coulomb collisions with atomic electrons, (b) multiple-scattering deflections due to elastic scattering by atoms, and (c) energy loss in nonelastic nuclear reactions. Data preparation programs facilitate the sampling of energy losses (VAVILOV, 1957) and angular deflections (MOLIERE, 1948). The initial proton stopping powers and ranges in water use PSTAR (NISTIR 4999, RSIC PSR-330).

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5. RESTRICTIONS ON THE COMPLEXITY OF THE PROBLEM

The codes PTRAN1D (PTRAN1DX & PTRAN1DY) and PTRAN3D are memory intensive, and need 7.5 Mbytes of RAM to execute. The support codes, data conversion and preparation codes (PTSUM, PARAM4, MPREP, VPREP, MCON, VCON) need 4 Mbytes RAM. The code PTRAN3D ran an example that took 56 minutes on a 80486/87 50 MHz machine. The math co-processor is mandatory with the executables supplied which used the Lahey Fortran F77L3 compiler and Phar Lap DOS Extender/Linker.

The codes PTRAN1D (PTRAN1DX & PTRAN1DY) and PTRAN3D are memory intensive, and need 7.5 Mbytes of RAM to execute. The support codes, data conversion and preparation codes (PTSUM, PARAM4, MPREP, VPREP, MCON, VCON) need 4 Mbytes RAM. The code PTRAN3D ran an example that took 56 minutes on a 80486/87 50 MHz machine. The math co-processor is mandatory with the executables supplied which used the Lahey Fortran F77L3 compiler and Phar Lap DOS Extender/Linker.

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6. TYPICAL RUNNING TIME

Using the 80486/87 50 MHz PC, the PTRAN3D took 56 minutes of run time, the PTRAN1D took 35 minutes. On a 80386/87 33 MHz PC, all the data preparation programs were run using less than a minute, including the interactive requests for parameter input.

Using the 80486/87 50 MHz PC, the PTRAN3D took 56 minutes of run time, the PTRAN1D took 35 minutes. On a 80386/87 33 MHz PC, all the data preparation programs were run using less than a minute, including the interactive requests for parameter input.

CCC-0618/01

The test case included in this package was executed on a 66-MHz PC/80486. Run times for the main programs were: 42 minutes for PTRAN3D; 26 minutes for PTRAN1D.[ top ]

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10. REFERENCES

- M.J. Abramowitz and I.A. Stegun:

Handbook of Mathematical Functions

National Bureau of Standards Applied in Computational Series 55

(1964).

- M.J. Berger:

Monte Carlo Calculation of the Penetration and Diffusion of

Charged Particle

Methods in Computational Physics, Vol. 1, p. 135, Academic Press,

N.Y. (1963).

- M.J. Berger:

ESTAR, PSTAR, and ASTAR - Computer Codes for calculating Stopping

Power and Range Tables for Electrons, Protons, and Helium Ions,

National Institute of Standards and Technology Report,

NISTIR 4999, (1992) (RSIC PSR-330).

- H.A. Bethe:

Moliere's Theory of Multiple Scattering

Phys. Rev. 89,1256 (1953).

- D. Kahaner, C. Moler, S.Nash:

Numerical Methods and Software

Prentice-Hall (1989).

- M.J. Abramowitz and I.A. Stegun:

Handbook of Mathematical Functions

National Bureau of Standards Applied in Computational Series 55

(1964).

- M.J. Berger:

Monte Carlo Calculation of the Penetration and Diffusion of

Charged Particle

Methods in Computational Physics, Vol. 1, p. 135, Academic Press,

N.Y. (1963).

- M.J. Berger:

ESTAR, PSTAR, and ASTAR - Computer Codes for calculating Stopping

Power and Range Tables for Electrons, Protons, and Helium Ions,

National Institute of Standards and Technology Report,

NISTIR 4999, (1992) (RSIC PSR-330).

- H.A. Bethe:

Moliere's Theory of Multiple Scattering

Phys. Rev. 89,1256 (1953).

- D. Kahaner, C. Moler, S.Nash:

Numerical Methods and Software

Prentice-Hall (1989).

CCC-0618/01, included references:

- M.J. Berger:Proton Monte Carlo Transport Program PTRAN

NISTIR 5113 (January 1993).

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11. MACHINE REQUIREMENTS

The executable codes were compiled and linked using Lahey F77L3/EM32 version 5.0 which requires a 80386 w/80387 math co-processor or better. The PTRAN1D and PTRAN3D required 7.5 Mbytes of RAM to run while the other executables need less than 3.5 Mbytes RAM. No special graphics monitor or printer is necessary. The total set of codes with executables, input files, and output files will occupy at least 15 Mbytes of hard disk space.

The executable codes were compiled and linked using Lahey F77L3/EM32 version 5.0 which requires a 80386 w/80387 math co-processor or better. The PTRAN1D and PTRAN3D required 7.5 Mbytes of RAM to run while the other executables need less than 3.5 Mbytes RAM. No special graphics monitor or printer is necessary. The total set of codes with executables, input files, and output files will occupy at least 15 Mbytes of hard disk space.

CCC-0618/01

PTRAN was installed by NEA-DB on a DELL 466/L PC with a 66-MHz 80486 processor and 16 Mbytes of RAM.[ top ]

13. OPERATING SYSTEM UNDER WHICH PROGRAM IS EXECUTED

MS-DOS version 3.3 or higher is required. The memory requirements of several Mbytes of RAM require DOS Extender software or equivalent to access the memory above 640 Kbyte. The Lahey F77L3/EM32 version 5.01 with Phar Lap's DOS Extender was used to compile and link the executables included in the distribution diskettes. When running these executable programs there needs to be access on the hard drive to a error file F77L3.EER supplied by Lahey and included in the diskettes.

MS-DOS version 3.3 or higher is required. The memory requirements of several Mbytes of RAM require DOS Extender software or equivalent to access the memory above 640 Kbyte. The Lahey F77L3/EM32 version 5.01 with Phar Lap's DOS Extender was used to compile and link the executables included in the distribution diskettes. When running these executable programs there needs to be access on the hard drive to a error file F77L3.EER supplied by Lahey and included in the diskettes.

CCC-0618/01

Installation at NEA-DB was done under MS-DOS Ver.6.2. The source codes were compiled using the Lahey F77L-EM/32 FORTRAN compiler version 5.20.[ top ]

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CCC-0618/01

File name | File description | Records |
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CCC0618_01.001 | Information file | 203 |

CCC0618_01.002 | RSIC information file | 154 |

CCC0618_01.003 | PARAM4 Fortran source code | 508 |

CCC0618_01.004 | PARAM4 executable file | 0 |

CCC0618_01.005 | Composition data for water | 3 |

CCC0618_01.006 | Stopping-power and range table for water | 70 |

CCC0618_01.007 | Total nonelastic X-sections for oxygen | 5 |

CCC0618_01.008 | Output table, Grid 1 | 374 |

CCC0618_01.009 | Output table, Grid 2 | 474 |

CCC0618_01.010 | Output table, Grid 3 | 702 |

CCC0618_01.011 | Output table, Grid 4 | 1184 |

CCC0618_01.012 | Output table, Grid 5 | 2178 |

CCC0618_01.013 | Output array for VPREP4 and MPREP4, Grid 2 | 220 |

CCC0618_01.014 | Output array for VPREP4 and MPREP4, Grid 3 | 334 |

CCC0618_01.015 | Output array for VPREP4 and MPREP4, Grid 4 | 575 |

CCC0618_01.016 | Output for PTRAN1D, PTRAN1DX or PTRAN3D, Gd2 | 201 |

CCC0618_01.017 | Output for PTRAN1D, PTRAN1DX or PTRAN3D, Gd3 | 309 |

CCC0618_01.018 | Output for PTRAN1D, PTRAN1DX or PTRAN3D, Gd4 | 525 |

CCC0618_01.019 | VPREP4 Fortran source code | 2965 |

CCC0618_01.020 | VPREP4 executable file | 0 |

CCC0618_01.021 | VCON4 Fortran source code | 31 |

CCC0618_01.022 | VCON4 executable file | 0 |

CCC0618_01.023 | VSAMP4 Fortran source code | 132 |

CCC0618_01.024 | VSAMP4 executable file | 0 |

CCC0618_01.025 | VSUM4 Fortran source code | 204 |

CCC0618_01.026 | VSUM4 executable file | 0 |

CCC0618_01.027 | Output file for VCON4, Grid 2 | 5291 |

CCC0618_01.028 | Output file for VCON4, Grid 3 | 12176 |

CCC0618_01.029 | Output file for VCON4, Grid 4 | 32900 |

CCC0618_01.030 | MPREP4 Fortran source code | 337 |

CCC0618_01.031 | MPREP4 executable file | 0 |

CCC0618_01.032 | MCON4 Fortran source code | 30 |

CCC0618_01.033 | MCON4 executable file | 0 |

CCC0618_01.034 | MSAMP4 Fortran source code | 139 |

CCC0618_01.035 | MSAMP4 executable file | 0 |

CCC0618_01.036 | Reduced deflection angles for Moliere distr. | 28 |

CCC0618_01.037 | Moliere expansion coefficients f(1) | 160 |

CCC0618_01.038 | Moliere expansion coefficients f(2) | 164 |

CCC0618_01.039 | Output file for MCON4, Grid 2 | 7853 |

CCC0618_01.040 | Output file for MCON4, Grid 3 | 11957 |

CCC0618_01.041 | Output file for MCON4, Grid 4 | 20633 |

CCC0618_01.042 | PTRAN3D Fortran source file | 689 |

CCC0618_01.043 | PTRAN3D executable file | 0 |

CCC0618_01.044 | Arrays used for sampling from Gaussian distr | 836 |

CCC0618_01.045 | Output from test run | 2348 |

CCC0618_01.046 | Auxiliary output for testing run | 16 |

CCC0618_01.047 | PTRAN1D Fortran source code | 607 |

CCC0618_01.048 | PTRAN1D executable file | 0 |

CCC0618_01.049 | PTRAN1DX Fortran source code | 690 |

CCC0618_01.050 | PTRAN1DX executable file | 0 |

CCC0618_01.051 | PTRAN1DY Fortran source code | 594 |

CCC0618_01.052 | PTRAN1DY executable file | 0 |

CCC0618_01.053 | PTSUM Fortran source code | 308 |

CCC0618_01.054 | PTSUM executable file | 0 |

CCC0618_01.055 | Output table from test run | 71 |

CCC0618_01.056 | Output array from test run | 37 |

CCC0618_01.057 | Message errors from Lahey compiler | 0 |

CCC0618_01.058 | Boundary information file | 31 |

CCC0618_01.059 | DOS file-names | 58 |

Keywords: Coulomb field, Monte Carlo method, inelastic scattering, protons, transport.