Documentation of the NucInfo software package in RODOS/RESY PV3.1

Transcription

1 Documentation of the NucInfo software package in RODOS/RESY PV3.1 C. Steinhauer ForschungszentrumKarlsruhe Technik und Umwelt P.O.Box 3640, D Karlsruhe July 28, 1999

2 Management Summary External programs in the program system RODOS/RESY in general require information about which nuclides are considered during a run, and may require radioactive half-life data for nuclides etc. The program package NucInfo was developed to provide an interface containing such information and is described in this document. This technical note is a part of the RODOS/RESY system documentation. final

3 Contents List of Tables General Information and Overview General Information Summary Environment References Overview Background Objectives Proposed Methods and Procedures Development Plan Operation Manual Program Description Description of Operation Modes Connections to other RODOS/RESY Software Help Functions Functional Specification and Data Specification Documents Overview Software Organization and Program Inventory File Inventory Data and Interface Description Input Data Output Data Description of NucInfo Shared Memory Shared Memory Definition Archiving and Loading Assignment of Data Module Description Using the Information Provided by NucInfo Identification of Individual Nuclides by Name Sequence and Identification of Fixdata Nuclides Sequence and and Identification of Calculation Nuclides Cross-Referencing of Fixdata and Calculation Nuclides Description of Runs Program Maintenance, Integration and Test Plan Operating Environment Program Language Programming Conventions Support Software Maintenance Procedures Verification Procedures Error Correction Procedures Test Plan and Test Analysis Report final

4 5 Model Description Index Document History final

5 List of Tables Table 1 on p. 8 : Nuclides in the fixdata base of RODOS/RESY-PV3.1 Table 2 on p. 12 : Program inventory of NucInfo Table 3 on p. 12 : Input for NucInfo Table 4 on p. 13 : Output from NucInfo Table 5 on p. 15 : Archive/load requirements for NucInfo Table 6 on p. 16 : Rules for NucInfo nuclide names Table 7 on p. 17 : Sequence of NucInfo calculation nuclides Table 8 on p. 18 : Support software used by NucInfo Table 9 on p. 19 : NucInfo run time errors final

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7 1 General Information and Overview 1.1 General Information Summary The NucInfo software (Nuclide Information) is part of the "Real-time OnlineDecision Support System" RODOS/RESY which is under development under collaboration of different institutes in many countries of the European Union and also from other countries. This system provides information on the radiological situation to decision makers or their advisors in the case of accidental releases from nuclear installations. Its application is possible for the near, intermediate and far distant ranges and for the short- and longterm radiological situation. Within the RODOS/RESY system, the NucInfo software provides information about which nuclides are considered in a run, and some general nuclide-specific data Environment NucInfo is developed at the Institut für Neutronenphysik und Reaktortechnik of the Forschungszentrum Karlsruhe (FZK/INR) as a part of the Analysing Subsystem ASY References Publications [DRSA1981] Gesellschaft für Reaktorsicherheit: Deutsche Risikostudie Kernkraftwerke. Fachband 8, Unfallfolgerechnungen und Risikoergebnisse. Verlag TüV Rheinland, ISBN (1981). [LEIT1995] Leitfaden für den Fachberater Strahlenschutz der Katastrophenschutzleitung bei kerntechnischen Notfällen. Veröffentlichungen der SSK, Band 13, 2. Aufl. (1995), ISBN [NUKL1995] Karlsruher Nuklidkarte. Hrsg: Forschungszentrum Karlsruhe, Technik und Umwelt (November 1995). RODOS/RESY documentation (unpublished reports, available at FZK/INR) [RODOS-TN(96)-01] J. Päsler-Sauer, O. Schüle, C. Steinhauer: RODOS Prototype Version 3.1, User Guide. 1.2 Overview Background In its fixdata base, the program system RODOS/RESY contains nuclide names, radioactive halflifes and some other data for a larger number of radionuclides; however, all application-oriented calculations are carried out with a subset currently consisting of 1 to 15 user selectable nuclides. The NucInfo software was developed to control the selection of such nuclide subsets from the full set and to provide basic nuclide informations. Table 1 shows the names of the 68 radionuclides/molecules currently implemented in RODOS/ final

8 RESY-PV3.1. The list will be extended when need arises. Table 1 : Nuclides in the fixdata base of RODOS/RESY-PV3.1 T - 3x TO- 3x (T-3x : HT, TO-3x : HTO) Na- 24 Mn- 54 Co- 58 Co- 60 Kr- 85m Kr- 85 Kr- 87 Kr- 88 Rb- 86 Rb- 88 Sr- 89 Sr- 90 Sr- 91 Sr- 92 Y - 90 Y - 91 Zr- 95 Zr- 97 Nb- 95 Mo- 99 Tc- 99m Ru-103 Ru-105 Ru-106 Rh-105 Ag-110m Sb-127 Sb-129 Te-127m Te-127 Te-129m Te-129 Te-131m Te-131 Te-132 Te-133m Te-133 Te-134 I -129 I -131 I -132 I -133 I -134 I -135 Xe-133 Xe-135 Xe-138 Cs-134 Cs-136 Cs-137 Cs-138 Ba-140 La-140 Ce-141 Ce-143 Ce-144 Pr-143 Nd-147 Np-239 Pu-238 Pu-239 Pu-240 Pu-241 Am-241 Cm-242 Cm-244 The nuclide list contains: all nuclides considered in the German Risk Study Phase A [DRSA1981] (p. 17) and the German Leitfaden für LWR-Reaktoren [LEIT1995] (p. 8, 9); additional nuclides for complementation of some potentially important radioactive decay chains; some activation products or other nuclides, which may be of relevance for LWR reactors in normal operation mode or for Fast Breeder Reactors; HT and HTO. final

9 The radioactive half-life data of the nuclides contained in the fixdata base were taken from the Karlsruher Chart of the Nuclides [NUKL1995] Objectives The objective of the NucInfo software is to provide by means of one single program package (a) information about which nuclides are considered in a run, (b) names, radioactive half-lifes, corresponding decay constants of the selected nuclides, and (c) a cross-reference list to connect the fixdata nuclides and the selected nuclides Proposed Methods and Procedures - none Development Plan There existed no development plan. The NucInfo software was written "top to bottom" in In 1996 it was significantly extended. In 1998 there were some additional modifications: removal of one parameter which has lost meaning; reorganisation/rename of an include file for parameter statements; inclusion of a new calculation data counter for special nuclide entries in the fixdata base. final

10 2 Operation Manual 2.1 Program Description In its fixdata base, the program system RODOS/RESY contains nuclide names, radioactive halflifes and some other data for a larger number of radionuclides; in the following, the nuclides contained in the fixdata base are called fixdata nuclides. However, all application-oriented calculations are carried out with a subset currently consisting of 1 to 15 user selectable nuclides, which will be called here calculation nuclides. The task of NucInfo is to provide by means of one single program package (a) information about which nuclides are considered in a run, (b) names, radioactive half-lifes, corresponding decay constants, and (c) a cross-reference list to make a connection between the fixdata and the calculation nuclides. Input to NucInfo is the following information number and names of the fixdata nuclides; radioactive half-lifes; a type characterisation (noble gas, iodine, aerosol, special); selection flags indicating which calculation nuclides shall be selected from the full set. Output from NucInfo is the following information total number of calculation nuclides; numbers of noble gas, iodine, and aerosol nuclides; the names of the calculation nuclides; their radioactive half-lifes in different physical units and the derived radioactive decay constants; a cross-reference list for connecting the fixdata and the calculation nuclides; a control file containing a list of the nuclides received from the fixdata base and the calculation nuclides generated. A default selection for 15 calculation nuclides is provided by the system. If calculations shall be carried out with other nuclides, the user can specify these "by hand" with the Initialisation Windows of RODOS/RESY [RODOS-TN(96)-01]. 2.2 Description of Operation Modes The NucInfo software is used both in the automatic and the interactive operation mode of RO- DOS/RESY. 2.3 Connections to other RODOS/RESY Software At present, the NucInfo software is part of the RODOS/RESY programs DIAGNOSIS and PROGNOSIS of the analysing subsystem ASY. The information generated by NucInfo is kept in special sections in shared memory and is accessible for all external programs containing the corresponding sections, either directly, after the information was generated by NucInfo, or indirectly, in RODOS/RESY programs other than DIAGNOSIS or PROGNOSIS after the corre- final

11 sponding shared memory sections have been filled using load instructions for the respective archived information. 2.4 Help Functions Help functions are neither available nor foreseen. For trouble-shooting see Chapter final

12 3 Functional Specification and Data Specification Documents In this chapter, program, subroutine and variable names are written in capital letters. 3.1 Overview Software Organization and Program Inventory NucInfo contains only one subroutine SETNUK, which is called from the input module of ASY. SETNUK itself calls two auxiliary RODOS/RESY subroutines/procedures (see Chapter 4.1.3). Table 2 shows the program inventory of NucInfo. Table 2 : Program inventory of NucInfo file containing code 1) content type / task PAR_NUCLS PAR_NUCLS Include-file with parameter statements SHM_NUCLS SHM_NUCLS Include-file for shared memory setnuk.ff SETNUK Subroutine for task "SETUP OF CALCULATION NUCLIDES" 1) Extension.f: FORTRAN source code. Extension.ff: FORTRAN source code plus specially coded languagedependent lines; must be processed with "Language.awk" instructions before compiling File Inventory NucInfo does not use any permanent input data file. 3.2 Data and Interface Description Input Data Table 3 shows the input for NucInfo (1st column), where the information comes from (2nd column), and where it resides (3rd column). Table 3 : Input for NucInfo input coming from residing in general information logical unit numbers for error messages and other text calling subroutine argument list number of fixdata nuclides fixdata base shared memory for each fixdata nuclide, its... name fixdata base shared memory rad. half-life fixdata base shared memory physical unit for above rad. half-life fixdata base shared memory type characterisation fixdata base shared memory final

13 Table 3 : Input for NucInfo input coming from residing in flag to indicate if the nuclide is selected as a calculation nuclide or not fixdata base or Initialisation Window or Assign Editor shared memory Output Data Table 4 shows the output from NucInfo (1st column), where the information is generated (2nd column), and where it resides (3rd column). Table 4 : Output from NucInfo output generated by residing in total number of calculation nuclides SETNUK shared memory number of noble gas, iodine, aerosol, special nuclides (sum = total number of calculation nuclides) SETNUK shared memory for each calculation nuclide, its... name (all programs except RODOS/RESY graphics) SETNUK shared memory name (RODOS/RESY graphics only) SETNUK shared memory rad. half-life in a phys. unit suitable for printout, and specification of SETNUK shared memory this unit radioactive half-lifes in the physical units [s,m,h,d,a] SETNUK shared memory corresponding radioactive decay constants in the physical units [s,m,h,d,a] -1 SETNUK shared memory for those programs which need a connection between the fixdata and the calculation nuclides, a cross-reference list between fixdata and calculation nuclides SETNUK shared memory mainly for trouble shooting, text file containing a list of the nuclides received from the fixdata base and the calculation nuclides generated Description of NucInfo Shared Memory SETNUK file on disk (see Chapter 2.4) The NucInfo input and output variables all reside in shared memory. In RODOS/RESY, the instructions for defining the shared memory, the loading of variables into it or archivinging of variable values from it, and of assigning values to shared memory variables are contained in separate files for different programs. Because NucInfo is not a RODOS/RESY program of its own, the corresponding statements or instructions are not contained in files of their own, but must be included in the corresponding files of any program which executes the NucInfo software or wants to make use of the corresponding archived data Shared Memory Definition The variables are grouped into data classes (example "CNUKSD"), which represent FORTRAN common blocks. The definition of each variable consists of two lines: final

14 the first line contains the name of the variable, the dimensions of the array, the type of the variable, upper and lower range for the values of the variable ("(0:0)" means that no ranges are set), and the physical unit; the second line contains a description of the variable. The variables for NucInfo are distributed over several data classes; their define statements are listed below. The fixdata nuclide information, which is input, and the calculation nuclides information, which is output, reside in different data classes. Under this aspect, the cross-reference list ISONUK is a hybrid: it is output, but, being an array referring to fixdata nuclides, it resides in the fixdata nuclide section of the shared memory. Statements for fixdata nuclides (Postfix "SD" stands for "StammDaten") CNUKSD: CISOTOP [1:7][1:68] Char (0:0) --- 'Nuclide names (fixdata/stammdaten nuclides)'; CISOTYP [1:4][1:68] Char (0:0) --- 'Type (noble gas/iodine/aerosol/special)'; CRHLISO [1:1][1:68] Char (0:0) --- 'Phys. unit for RHLISO in DNUKSD'; END CLASS DNUKSD: ISONUK [1:68] Integer (0:0) --- 'Cross-reference table between fixdata and calculation data nuclides'; ISOYES [1:68] Integer (0:0) --- 'Flag to select calculation data nuclides from fixdata nuclides'; NISOT [] Integer (0:0) --- 'Total number of fixdata(stammdaten) nuclides'; RHLISO [1:68] Real (0:0) CRHLISO 'Radioactive half-lifes'; ZDNUKS [] Real (0:0) --- '8-Byte-Lueckenfueller'; END CLASS Statements for calculation nuclides (Postfix "PD" stands for "ProgrammDaten") CNUKPD: CNUKL [1:7][1:15] Char (0:0) --- 'Nuclide names (calculation nuclides)'; CRHALFX [1:1][1:15] Char (0:0) --- 'Phys. unit for RHALFX in DNUKPD'; END CLASS DNUKPD: NAERO [] Integer (0:0) --- 'Number of aerosol nuclides in NNUKL'; NIODS [] Integer (0:0) --- 'Number of iodine nuclides in NNUKL'; NNOBL [] Integer (0:0) --- 'Number of noble gas nuclides in NNUKL'; NNUKL [] Integer (0:0) --- 'Total number of calculation nuclides'; NSPCL [] Integer (0:0) --- final

15 'Number of special nuclides in NNUKL'; RADEC [1:15][1:5] Real (0:0) 1/(s,m,h,d,a 'Radioactive decay constants (ln2/rad.half-life)'; RHALF [1:15][1:5] Real (0:0) (s,m,h,d,a) 'Radioactive half-lifes'; RHALFX [1:15] Real (0:0) CRHALFX 'Radioactive half-lifes (nice format for printout)'; END CLASS Statements for Calculation nuclides for the RODOS/RESY graphics (Postfix "GO" stands for "GraphikOberfläche") CNUKGO: CNUGRF [1:8][1:15] Char (0:0) --- 'Calculation nuclides names for the graphics'; END CLASS The above re-specification of the calculation nuclide names for the graphics must be done because the graphics system requires the nuclide names as 8 characters and not as 7 characters used elsewhere in NucInfo Archiving and Loading Table 5 on p. 15 lists the NucInfo data classes/variables which need archiving/loading in dependence of the RODOS/RESY programs. The corresponding archive/load instructions are not listed here; they will be provided by the RODOS/RESY support team when required. Table 5 : Archive/load requirements for NucInfo program archive data for data class/variable load data for data class/variable DIAGNOSIS PROGNOSIS (automatic mode) PROGNOSIS (interactive mode) complete shared memory as described in Chapter complete shared memory as described in Chapter complete shared memory as described in Chapter From fixdata base CNUKSD: all variables DNUKSD: all variables 1)2) From DIAGNOSIS archive CNUKSD: all variables DNUKSD: all variables 1) From fixdata base CNUKSD: all variables DNUKSD: all variables 1)2) all other programs - none - From PROGNOSIS archive CNUKSD: if required 3) DNUKSD: if required 3) CNUKPD: all variables DNUKPD: all variables CNUKGO: if required 3) 1) With the exception of ISONUK, which is calculated by NucInfo (see Chapter 3.2). 2) ISOYES may be loaded from assign file (see Chapter ). 3) Most programs do not need this information. final

16 It should be noted, that in case of PROGNOSIS in automatic mode, all NucInfo data classes could in principle be loaded from the DIAGNOSIS archive. Instead, for symmetry with respect to automatic and interactive operation mode, in the PROGNOSIS source code only the fixdata side is loaded from the DIAGNOSIS archive and with that information NucInfo is called to generate the remaining information Assignment of Data As can be seen from Table 3 on p. 12, the flag for selection of calculation nuclides from fixdata nuclides (ISOYES) may be given values with an assign instruction. 3.3 Module Description As NucInfo is not a RODOS/RESY module on its own right and consists only of one subroutine, more detailes than those described in Chapter are not given. 3.4 Using the Information Provided by NucInfo Identification of Individual Nuclides by Name The identification of individual fixdata or calculation nuclides set up by NucInfo is done "by name". The names are coded according to the rules listed in Table 6 on p. 16. char. content spelling rules 1,2 chemical elements: names as in periodic tables special entries not fitting above typification: symbolic name Table 6 : Rules for NucInfo nuclide names Sequence and Identification of Fixdata Nuclides chemical elements 2-character element : 1st char. upper case, 2nd char. lower case char. 1-character element : 1st char. upper case, 2nd char. blank character special entries no contraint on upper/lower case characters; however, for 1-character names the 2nd character must be the blank character. 3 hyphen the minus-sign "-" 4,5,6 nucleon number Right-adjusted. Missing figures to the left must be filled with the blank character. 7 additional information no restriction; for instance - the blank character for "no entry"; - the lower case "m" for metastable states; - the lower case "x" for special entries. Variable NISOT gives the total number of fixdata nuclides. The 1...NISOT nuclides come one after the other in a sequence defined by the arrangement of the nuclides in the fixdata base. The identification of individual nuclides can be achieved "by name" (see Chapter 3.4.1) Sequence and and Identification of Calculation Nuclides How many (NNUKL) and which (CNUKL) calculation nuclides are present in a run depends final

17 on the selection made by the user; currently, the maximum number of calculation nuclides is 15. NOBLE, NIODS, NAERO, NSPCL count the number of noble gas, iodine, aerosol and special nuclides 1 in the calculation nuclides, and the sum (NOBLE+NIODS+NAERO+NSPCL) equals NNUKL. Please note that one, two or three of the counters NOBLE, NIODS, NAERO, NSPCL can be zero, but not all four: NucInfo guarantees that at least one calculation nuclide is present. The sequence of calculation nuclides in all nuclide-dependent arrays is shown in Table 7; the identification of individual nuclides can be achieved "by name" (see Chapter 3.4.1).: Table 7 : Sequence of NucInfo calculation nuclides type noble gases iodine isotopes aerosols specials array elements 1... NNOBL NNOBL+1... NNOBL+NIODS NNOBL+NIODS+1... NNOBLE+NIODS+NAERO NNOBL+NIODS+NAERO+1... NNOBLE+NIODS+NAERO+NSPCL=NNUKL Cross-Referencing of Fixdata and Calculation Nuclides The array ISOYES is the selection flag, which tells for each fixdata nuclide if it is selected for a calculation nuclide. If this is so, the coss-reference array ISONUK gives its adress in the calculation nuclides arrays, if not, ISONUK is zero for the corresponding fixdata nuclide. In FORTRAN for instance, this information can be utilised with the following construction: * Loop over all fixdata nuclides "ISO" DO ## ISO=1,NISOT IF(ISONUK(ISO).GT.0) THEN INU=ISONUK(ISO) {... this fixdata nuclide "ISO" is a calculation nuclide with calculation nuclide number "INU"...} ELSE {... this fixdata nuclide "ISO" is not a calculation nuclide} END IF ## CONTINUE 3.5 Description of Runs First, a PROGNOSIS or DIAGNOSIS run which produces NucInfo data must be carried out. The archived NucInfo results can then be used by any other program. 1."Special nuclides" are for example HT and HTO. final

18 4 Program Maintenance, Integration and Test Plan 4.1 Operating Environment Program Language NucInfo is written in FORTRAN 77. Program development was on a HP Workstation Series xx with UNIX operation system HPUX and HPUX F77 compiler. Some extensions to standart FORTRAN 77 have been used: FORTRAN include statements for including files with definitions of parameters, variables etc.; the compiler $alias-directive for coupling to a RODOS/RESY procedure written in C; names can be longer than 6 characters; in a few places, lower case characters are used Programming Conventions - none Support Software The support software used by NucInfo is shown in Table 8. type Table 8 : Support software used by NucInfo software used FORTRAN intrinsic functions none General RODOS/RESY FORTRAN subroutines subroutine UHEADL General RODOS/RESY C procedures procedure ERRMES Quality assurance RODOS/RESY QA Testing facilities provided by ICCET, UK 4.2 Maintenance Procedures Verification Procedures The software of NucInfo is checked routinely for proper perfomance. Details see Chapter Error Correction Procedures NucInfo/I performes several checks, and, in case of problem, reports the nature of the problem. Since practically all of the checked conditions are impossible to interpret and thus correct by NucInfo/I itself, they do not allow proper performance and lead to an error stop. The text file (path "rodos/roextern/outall/userid/runid/{prognose Diagnose}.nuclides"), which is produced by NucInfo/I and contains fixdata and calculation nuclide information, should always be consulted in case of error messages from NucInfo/I. final

19 There a number of problems and errors which are most likely caused by (a) loading problems and (b) wrong entries in the BasicData base. Such errors are called "installation errors". Corresponding messages are reported only on "RODOS/RESY logfile unit 6" and have the following format: 1st line : {name of reporting subroutine}! STOP (INSTALLATION ERROR)! 2nd line: REASON : {error message}. This may be followed by one or more line showing the value(s) which caused the trouble. There are also a number of problems and errors which are most likely caused by user input. Such "user input errors" are reported in the text file in some detail, and, additionally, a shortmessage is flashed on the screen. All checks and error messages are listed in Table 9. Table 9 : NucInfo run time errors NucInfo checks that... message issued action Checks performed on fixdata nuclides ("installation errors") LGF=logfile unit number > zero Since the program cannot write to the logfile, stop it stops with STOP 'SETNUK : LGF.LE.0' LPT=textfile unit number > zero LPT.LE.ZERO stop Number of nuclides > zero NISOT.LE. ZERO stop Number of nuclides < dimension in source code NISOT.GT.MAXISO stop Correct entry for physical unit of rad. half-life CRHLISO HAS UNKNOWN VALUE stop Correct entry for type characterisation CISOTYP HAS UNKNOWN VALUE stop Checks performed on calculation nuclides ("user input errors") Number of nuclides > zero NO NUCLIDE SELECTED FOR THE stop CALCULATION Number of nuclides < 16 TOO MANY NUCLIDES SELECTED FOR THE CALCULATION stop 4.3 Test Plan and Test Analysis Report In the initial test phase in 1996 it was ascertained that the task performs correctly. Since that time, this task is in use and no errors were detected at FZK or reported by external users. final

20 5 Model Description NucInfo performs the following tasks: checks of validity of input nuclides information; checks of the selection of calculation nuclides; reorganisation and cross-referencing of arrays; transformation of radioactive half-life data into different units; calculation of the radioactive decay constants (ln 2 / rad. half-life) in different units. All these tasks are straightforward and simple and need no further explanations. final

21 6 Index Calculation nuclide, definition of ~, Chapter 2.1 Fixdata nuclide, definition of ~, Chapter 2.1 Nuclides - contained in fixdata base, Table 1 on p. 8 - order of ~ in NucInfo arrays, Chapter and Chapter radioactive half-life data, Chapter spelling of ~ names in NucInfo, Chapter Trouble shooting on error exit, Chapter final

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23 Document History Document Title: Documentation of the NucInfo software package in RODOS/RESY- PV3.1 Rodos number: RODOS(WG1)-TN(96)-11 Version and status: Version 1.0 (final) Author/Editor: C. Steinhauer Address: ForschungszentrumKarlsruhe, Technik und Umwelt, P.O.Box 3640, D Karlsruhe Issued by: C. Steinhauer Date of Issue: Circulation: Request File Name: WG1TN9611.frm Date of print: final