9. Programmers Guide (*)

In this section an introduction is given how to write programs within the NEMO environment. It is based on an original report NEMO: Elementary Mechanics Observatory by Joshua Barnes (1986).

To the application programmer NEMO consists of a set of (C) macro definitions and object libraries, designed for numerical work in general and stellar dynamics in particular. A basic knowledge how to program in C, and use the local operating system to get the job done, is assumed. If you know how to work with Makefile’s, even better.

We start by looking at a typical Hello Nemo program:

#include <nemo.h>                         /* standard (NEMO) definitions */

string defv[] = {       /* standard keywords and default values and help */
    "n=10\n                    Number of interations",           /* key1 */
    "VERSION=1.2\n             25-may-1992 PJT",                 /* key2 */
    NULL,               /* standard terminator of defv[] vector          */
};

string usage = "Example NEMO program 'hello'";        /* usage help text */

void nemo_main()                   /* standard start of any NEMO program */
{
    int n = getiparam("n");                          /* get n            */
    
    printf("Hello NEMO!\n");                         /* do some work ... */
    if (n < 0)                                       /* deal with fatal  */
       error("n=%d is now allowed, need >0",n);      /* errors           */
}
        

9.1. The NEMO Programming Environment

The modifications necessary to your UNIX environment in order to access NEMO are extensively described elsewhere. This not only applies to a user, but also to the application programmer.

In summary, the essential changes to your environment consist of one simple additions to your local shell startup file or you can do it interactively in your shell (be it sh or csh like).

   % source /opt/nemo/nemo_start.sh
or
   % source /opt/nemo/nemo_start.csh

where the location of NEMO=/opt/nemo is something that will likely be different for you.

9.2. The NEMO Macro Packages

We will describe a few of the most frequently used macro packages available to the programmer. They reside in the form of header include files in a directory tree starting at $NEMOINC. Your application code would need references like:

#include <nemo.h>              // this will include a few basic core NEMO include files
#include <snapshot/body.h>
#include <snapshot/get_snap.c>

Some of the macro packages are merely function prototypes, to facilitate modern C compilers (we strive to follow the C99 standard), and have associated object code in libraries in $NEMOLIB and programs need to be linked with the appropriate libraries (normally controlled via a Makefile).

9.2.1. stdinc.h

The macro package stdinc.h provides all basic definitions that ALL of NEMO’s code must include as the first include file. It also replaces the often used {tt stdio.h} include file in C programs. The stdinc.h include file will provide us with a way to standardize on future expansions, and make code more machine/implementation independent (e.g. POSIX.1). In addition, it defines a more logical standard for C notation. For example, the normal C practice of using pointers to character for pointer to byte, or integer for bool, tends to encourage a degree of sloppy programming, which can be hard to understand at a later date.

A few of the basic definitions in this package:

  • NULL: macro for 0, used to distinguish null characters and null pointers. This is often already defined by stdio.h.

  • bool: typedef for short int or char, used to specify boolean data. See also next item. NOTE: the curses library also defines bool, and this made us change from short int to the more space saving char.

  • TRUE, FALSE: macros for 1 and 0, respectively, following normal C conventions.

  • byte: typedef for unsigned char, used to specify byte-sized data.

  • string: typedef for char *, used to point to strings. Don`t use string for pointers you increment, decrement or explicitly follow (using *); such pointers are really char *.

  • real, realptr: typedef for float or double (float * or double *, respectively), depending on the use of the SINGLEPREC flag. The default is double.

  • proc, iproc, rproc: typedefs for pointers to procedures (void functions), integer-valued functions and real-valued functions respectively. % This always confusing issue will become clear later on.

  • local, permanent: macros for {tt static}. Use {tt local} when declaring variables or functions within a file to be local to that file. They will not appear in the symbol table be usable as external symbols. Use {tt permanent} within a function, to retain their value upon subsequent re-entries in that function.

  • PI, TWO_PI, FOUR_PI, HALF_PI, FRTHRD_PI:] macros for \(\pi\), \(2\pi\), \(4\pi\), \(4\pi/3\), respectively.

  • ABS(x), SGN(x): macros for absolute value and sign of x, irrespective of the type of x. Beware of side effects, it’s a macro!

  • MAX(x,y), MIN(x,y): macros for the maximum and minimum of x,y, irrespective of the type of x,y. Again, beware of side effects.

  • stream: typedef for FILE *. They are mostly used with the NEMO functions stropen and strclose, which are functionally similar to fopen(3) and fclose(3), plus some added NEMO quircks like (named) pipes and the dot (.) /dev/null file.

9.2.2. getparam.h

The command line syntax is implemented by a small set of functions used by all conforming NEMO programs. A few function calls generally suffice to get the values of the input parameters. A number of more complex parsing routines are also available, to be discussed below.

First of all, a NEMO program must define which program keywords it will recognize. For this purpose it must define an array of *string*s with the names and the default values for the keywords, and optionally, but STRONGLY recommended, a one line help string for that keyword:

#include <nemo.h>       /*   every NEMO module needs this  */

string defv[] = {       /* definitions of the keywords */
    "in=???\n          Input file (a snapshot)",
    "n=10\n            Number of particles to view",
    "VERSION=1.1\n     14-jul-89 - 200th Bastille Day - PJT",
    NULL,
};

string usage = "example program";   /* def. of the usage line */

The keyword=value and help part of the string must be separated by a newline symbol (\n). If no newline is present, as was the case in NEMO’s first release, no help string is available. ZENO uses a slightly different technique, where strings starting with ; are the help string. This example in ZENO would look as follows:

string defv[] = {      "; example program",
    "in=???",          ";Input file (a snapshot)",
    "n=10",            ";Number of particles to view",
    "VERSION=1.1",     ";14-jul-89 - 200th Bastille Day - PJT",
    NULL,
};

You can see the first string is actually the same as NEMO’s usage string. The current NEMO getparam package is able to parse both NEMO and ZENO style defv[] initializers.

The help=h command line option displays the help part of string during execution of the program for quick inline reference. The usage part defines a string that is used as a one line reminder what the program does. It’s used by the various invocations of the user interface.

The first thing a NEMO program does, is comparing the command line arguments of the program (commonly called string argv[] in a C program) with this default vector of keyword=value strings (string defv[]), and replace appropriate reset values for later retrieval. This is done by calling initparam as the first step in your MAIN program:

main (int argc, string argv[])
{
    initparam(argv,defv);
    . . .

It also checks if keywords which do not have a default value (i.e. were given ???) have really been given a proper value on the command line, if keywords are not specified twice, enters values of the system keywords etc.

There is a better alternative to define the main part of a NEMO program: by renaming the main entry point main() to nemo_main(), without any arguments, and calling the array of strings with default key=val’s string defv[], the linker will automatically include the proper startup code (initparam(argv,defv)), the worker routine nemo_main() itself, and the stop code (finiparam()). The above section of code would then be replaced by a mere:

void nemo_main()
{
    . . .

This has the obvious advantage that various NEMO related administrative details are now hidden from the application programmers, and occur automatically. Remember that standard main() already shields the application programmer from a number of tedious setups (e.g. {it stdio} etc.). Within NEMO we have taken this one step further. A recent example that was added to nemo_main is the management of the number of processors in an OpenMP enhanced computing mode.

Once the user interface has been initialized, keyword values may be obtained at any point during execution of the program by calling getparam(), which returns a string

Note

ANSI rules say you can’t write to this location in memory if they are direct references string defv[]; this is something that may well be fixed in a future release.

if (streq(getparam("n"),"0")
    printf(" You really mean zero or octal?\n");

There is a whole family of getXparam() functions which parse the string in a value of one of the basic C types int, long, bool, and real. It returns that value in that type:

#include <getparam.h>     //   included by <nemo.h>
. . .
int nbody;
. . .
if ( (nbody = getiparam("n")) <= 0) {
    printf("Cannot handle %d particles\n",nbody);
    exit(0);
}

Finally, there is a macro called getargv0(), which returns the name of the calling program, mostly used for identification:

if (getbparam("quit"))
    error("%s: early quit", getargv0());

This is very useful in library routines, who normally would not be able to know who called them. Actually, NEMO’s error function already uses this technique, since it cannot know the name of the program by whom it was called. The error function prints a message, and exits the program.

More detailed information can also be found in the appropriate manual page: getparam(3NEMO) and error(3NEMO).

9.2.3. Advanced User Interface and String Parsing

Here we describe setparam to add some interactive capabilities in a standard way to NEMO. Values of keywords should only be accessed and modified this way. Since keywords are initialized/stored within the source code, most compilers will store their values in a read-only part of data area in the executable image. Editing them may cause unpredictable behavior.

If a keyword string contains an array of items of the same type, one can use either nemoinpX or getXrange, depending if you know how many items to expect in the string. The getXrange routines will allocate a new array which will contain the items of the parsed string. If you do already have a declared array, and know that all items will fit in there, the nemoinpX routines will suffice.

An example of usage:

double *x = NULL;
double y[NYMAX];
int nxret, nyret;
int nxmax=0;

nyret = nemoinpd(getparam("y"), y, NYMAX);

nxret = getdrange(getparam("x"), &x, &nxmax);

Warning

May 24, 2021: The text below here in this chapter has not been latex->rst sanitized

In the first call the number of elements to be parsed from an input keyword {tt y=} is limited to {tt NYMAX}, and is useful when the number of elements is expected to be small or more or less known. The actual number of elements returned in the array {tt y[]} is {tt nyret}.

When the number of elements to be parsed is not known at all, or one needs complete freedom, the dynamic allocation feature of {tt getdrange} can be used. The pointer {tt x} is initialized to {tt NULL}, as well as the item counter {tt nxmax}. After calling {tt getdrange}, {tt x} will point to an array of length {tt nxmax}, in which the first {tt nxret} element contain the parsed values of the input keyword {tt x=}. Proper re-allocation will be done when a larger space is need on subsequent calls.

Both routines return negative error return codes, see {it nemoinp(3NEMO)}.

More complex parsing is also done by calling {tt burststring} first to break a string in pieces, followed by a variety of functions.

9.2.4. Alternatives to nemo_main

It is not required for your program to define with {tt nemo_main()}. There are cases where the user needs more control. An example of this is the {tt falcON}index{falcON} N-body code in {tt $NEMO/use/dehnen/falcON}. A header file (see e.g. {tt inc/main.h}) now defines main, instead of through the NEMO library:

// in main.h:

extern string defv[];
extern string usage;

namespace nbdy {
   char version [200];                             // to hold version info
   extern void main();                             // to be defined by user
};

int main(int argc, char *argv[])                  // ::main()
{
   snprintf(nbdy::version,200,"VERSION=" /*..*/ ); // write version info
   initparam(argv,defv);                           // start NEMO
   nbdy::main();                                   // call nbdy::main()
   finiparam();                                    // finish NEMO
}

and the application includes this header file, and defines the keyword list in the usual way :

// in application.cc

#include <main.h>

string defv[] = { /*...*/, nbdy::version, NULL }; // use version info
string usage  = /*...*/ ;

void nbdy::main() { /*...*/ }                     // nbdy::main()

9.2.5. filestruct.h

The filestruct package provides a direct and consistent way of passing data between NEMO programs, much as getparam provides a way of passing (command line) arguments to programs. For reasons of economy and accuracy, much of the data manipulated by NEMO is stored on disk in binary form. Normally, data stored this way is completely unintelligible, except to specialized programs which create and access it. Furthermore, this approach to data handling tends to be very brittle: a trivial addition or alteration to the data stored in such a file can force the tedious and error-prone revision of many programs. To get around these problems and provide an explicit, flexible, and structured method of storing binary data, we developed a collection of general purpose routines to access binary data files.

From the programmers point of view, a structured binary file is a stream of tagged data objects. In XML parlor, you could view this as binary XML. These objects come in two classes. An item is a single instance or a regular array of one of the following C primitive types: char, short, int, long, float or double. A set is an unordered sequence of {it items} and {it sets}. This definition is recursive, so fully hierarchical file structures are allowed, and indeed encouraged. Every set or item has a name {it tag} index{tag, item} associated with it, used to label the contents of a file and to retrieve objects from a set. Data items have a {it type} index{type, item} and array {it dimension} index{dimension, item} attributed associated with them as well. This of course means that there is a little overhead, which may become too large if many small amounts of data are to be handled. For example, a snapshot with 128 bodies (created by {tt mkplummer}) with double precision masses and full 6 dimensional phase space coordinates totals 7425 bytes, whereas a straight dump of only the essential information would be 7168 bytes, a mere 3.5% overhead. After an integration, with 9 full snapshots stored and 65 snapshots with only diagnostics output, the overhead is much larger: 98944 bytes of data, of which only 64512 bytes are masses and phase space coordinates: the overhead is 53% (of which 29% though are the diagnostics output, such conservation of energy and angular momentum, cputime, center of mass, etc.).

The filestruct package uses ordinary {it stdio(3)} streams to access input and output files; index{stream} hence the first step in using filestruct is to open the file streams. For this job we use the NEMO library routine {tt stropen()}, index{stropen} which itself is not part of filestruct. {tt stropen({it name,mode})} is much like {tt fopen()} of {it stdio}, but slightly more clever; it will not open an existing file for output, unless the {it mode} string is {tt “w!”}. % append ??? An additional oddity to {tt stropen} is that it treats the dash filename {tt “-“}, index{-,filename} as standard in/output,footnote{Older versions of {it filestruct} cannot handle binary files in pipes, since filestruct uses fseek(3)} and {tt “s”} as a scratch file. Since {it stdio} normally flushes all buffers on exit, it is often not necessary to explicitly close open streams, but if you do so, use the matching routine {tt strclose()}. Thisindex{strclose} also frees up the table entries on temporary memory used by the filestruct package. As in most applications/operating systems a task can have a limited set of open files associated with it. Scratchindex{scratch files} files are automatically deleted from disk when they are closed. index{scratch files}

Having opened the required streams, it is quite simple to use the basic data I/O routines. For example, suppose the following declarations have been made:

#include <stdinc.h>
#include <filestruct.h>

stream instr, outstr;
int    nbody;
string headline;

#define MAXNBODY 100
real    mass[MAXNBODY];

(note the use of the {tt stdinc.h} conventions). And now suppose that, after some computation, results have been stored in the first {tt nbody} components of the {tt mass} array, and a descriptive message has been placed in {tt headline}. The following piece of code will write the data to a structured file:

outstr = stropen("mass.dat", "w");

put_data(outstr, "Nbody", IntType, &nbody, 0);
put_data(outstr, "Mass", RealType, mass, nbody, 0);
put_string(outstr, "Headline", headline);

strclose(outstr);

Data (the 4th argument in {tt put_data}, is always passed by address, even if one element is written. This not only holds for reading, but also for writing, as is apparent from the above example. Note that no error checking is needed when the file is opened for writing. If the file {tt mass.dat} would already have existed, {tt error()} would index{error(3)} have been called inside {tt stropen()} and aborted the program. Names of tags are arbitrary, but we encourage you to use descriptive names, although an arbitrary maximum of 64 is enforced by chopping any incoming string.

The resulting contents of {tt mass.dat} can be viewed with the {tt tsf} utility: index{tsf}

% tsf mass.dat
int Nbody 010
double Mass[8] 1.0 1.0 1.0 1.0 1.0 1.0 1.0 1.0
char Headline[20] "All masses are equal"

Note the octal representation {tt 010=8} of {tt Nbody}. OLD

% CANNOT DO THIS YET - CONCEPT NOT INTRODUCED HERE % Also note % that it is not {bf required} to use sets, subsets, subsubsets etc., % but such encapsulation has certain advantages.

It is now trivial to read data from this file:

instr = stropen("mass.dat", "r");

get_data(instr, "Nbody", IntType, &nbody, 0);
get_data(instr, "Mass", RealType, mass, nbody, 0);
headline = get_string(instr, "Headline");

strclose(instr);

Note that we read the data in the same order as they were written.

During input, the filestruct routines normally perform strict type-checking; the tag, type and dimension supplied to {tt get_data()} must match the attributes of the data item, written previously, exactly. Such strict checking helps prevent many common errors in using binary data. Alternatively, you can use {tt get_data_coerced()}, which is called exactly like {tt get_data()}, but interconverts {tt float} and {tt double} valuesfootnote{The implementors of NEMO will not be held responsible for any loss of precision resulting from the use of this feature.}.index{real}

To provide more flexibility in programming I/O, a series of related items may be hierarchically wrapped into a set:

outstr = stropen("mass.dat", "w");

put_set(outstr, "NotASnapShot");
   put_data(outstr, "Nbody", IntType, &nbody, 0);
   put_data(outstr, "Mass", RealType, mass, nbody, 0);
   put_string(outstr, "Headline", headline);
put_tes(outstr, "NotASnapShot");

strclose(outstr);

Note that each {tt put_set()}index{put_set} must be matched by an equivalent {tt put_tes()}index{put_tes}. For input, corresponding routines {tt get_set()} and {tt get_tes()} are used. These also introduce a significant additional functionality: between a {tt get_set()}index{get_set} and {tt get_tes()}index{get_tes}, the data items of the set may be read in any orderfootnote{tagnames must now be unique within an item, as in a C {tt struct}}, or not even read at all. For example, the following is also a legal way to access the {tt NotASnapShot}footnote{This is a toy model, shown for its simplicity. The full {tt SnapShot} format is discussed in Section ref{ss:snapshot}}:

instr = stropen("mass.dat", "r");

if (!get_tag_ok(instr,"NotASnapShot"))
    error("File mass.dat is not a NotASnapShot\n");

get_set(instr,"NotASnapShot");
headline = get_string(instr, "Headline");
get_tes(instr,"NotASnapShot");

strclose(instr);

This method of filtering a data input stream clearly opens up many ways of developing general-purpose programs. Also note that the {tt bool} routine {tt get_tag_ok()} can be used to control the flow of the program, as {tt get_set()} would call {tt error()} when the wrong tag-name would be encountered, and abort the program.

The UNIX program cat can also be used to catenate multiple binary data-sets into one, i.e.

%   cat mass1.dat mass2.dat mass3.dat > mass.dat

The get_tag_ok routine can be used to handle such multi-set data files. The following example shows how loop through such a combined data-file.

instr = stropen("mass.dat", "r");

while (get_tag_ok(instr, "NotASnapShot") {
   get_set(instr, "NotASnapShot");
   get_data(instr, "Nbody", IntType, &nbody, 0);
   if (nbody > MAXNBODY) {
        warning("Skipping data with too many (%d) items",nbody);
        get_tes(instr,"NotASnapShot");
        continue;
   }
   get_data(instr, "Mass", RealType, mass, nbody, 0);
   headline = get_string(instr, "Headline");
   get_tes(instr,"NotASnapShot");
   /*   process data   */
}

strclose(instr);

The loop is terminated at either end-of-file, or if the next object in {tt instr} is not a {tt NotASnapShot}.

It is easy to the skip for an item if you know if it is there:

while(get_tag_ok(instr,"NotASnapShot"))     /*  ??????? */
    skip_item(instr,"NotASnapShot");

The routine {tt skip_item()} is only effective, or for that matter required, when doing input at the top level, {it i.e.} not between a {tt get_set()} and matching {tt get_tes()}, since I/O at deeper levels is random w.r.t. items and sets. In other words, at the top level I/O is sequential, at lower levels random.

A relative new feature in data access is the ability to do random and blocked access to the data. Instead of using a single call to {tt get_data} and {tt put_data}, the access can be sequentially blocked using {tt get_data_blocked} and {tt put_data_blocked}, provided it is wrapped using {tt get_data_set} and {tt get_data_tes}, for example:

get_data_set    (instr, "Mass", RealType, nbody, 0);
real *mass = (real *) allocate((nbody/2)*sizeof(real));
get_data_blocked(instr, "Mass", mass, nbody/2);
get_data_blocked(instr, "Mass", mass, nbody/2);
get_data_tes    (instr, "Mass");

would read in the {tt Mass} data in two pieces into a smaller sized {tt mass} array. A similar mode exists to randomly access data with an item. A current limitation of this mode is that such access is only allowed on one item at a time. In this mode an item must be closed before the next one can be opened in such a mode.index{blocked I/O}index{filestruct,blocked I/O} index{filestruct,random I/O}index{random access}

9.2.6. vectmath.h

The {tt vectmath.h} macro package index{vectmath.h} provides a set of macros to handle some elementary operations on two, three or general $N$ dimensional vectors and matrices. The dimension $N$ can be picked by providing the package with a value for the preprocessor macro {bf NDIM}. If this is not supplied, the presence of macros {bf TWODIM} and {bf THREEDIM} will be checked, in which case {bf NDIM} is set to 2 or 3 respectively. The default of {bf NDIM} when all of the above are absent, is 3. Of course, the macro {bf NDIM} must be provided before {tt vectmath.h} is included to have any effect. Resetting the value of {bf NDIM} after that, if your compiler would allow it anyhow without an explicit {tt #undef}, may produce unpredictable results.

There are also a few of the macro’s which can be used as a regular C function, returning a real value, {it e.g.} {tt absv()} for the length of a vector.

Operations such as {bf SETV} (copying a vector) are properly defined for every dimension, but {bf CROSSVP} (a vector cross product) has a different meaning in 2 and 3 dimensions, and is absent in higher dimensions.

It should be noted that the matrices used here are true C matrices, a pointer to an array of pointers (to 1D arrays), unlike FORTRAN arrays, which only occupy a solid 2D block of memory. C arrays take slightly more memory. For an example how to make C arrays and FORTRAN arrays work closely together see e.g. {it Numerical Recipes in C} by {it Press et al.} (MIT Press, 1988). index{Numerical Recipes} index{Press W.}

In the following example a 4 dimensional vector is cleared:

#define NDIM 4
#include <vectmath.h>

nemo_main()
{
    vector a;           /* same as:   double a[4]  */

    CLRV(a);
}

{it some more examples here - taken from some snap code}

9.2.7. snapshots: get_snap.c and put_snap.c

mylabel{ss:snapshot}

These routines exemplify an attempt to provide truly generic I/O of N-body data. They read and write structured binary data files conforming to the overall form seen in earlier sections. Internally they operate on {tt Body} structures; index{Body, structure} A {tt Body} has components accessed by macros such as {tt Mass} for the mass, {tt Pos} and {tt Vel} for the position and velocity vectors, {it etc.}. Since {tt get_snap.c} and {tt put_snap.c} use only these macros to declare and access bodies, they can be used with any suitable {tt Body} structure. They are thus provided as C source code to be included in the compilation of a program. Definitions concerning Body’s and snapshots are obtained by including the files {tt snapshot/body.h} and {tt snaphot/snapshot.h}. index{snapshot.h}index{body.h}

A program which should handle a large number of particles, may decide to include a more simple {tt Body} structure, as is {it e.g.} provided by the {tt snapshot/barebody.h} macro file. This body only includes the masses and phase space coordinates, which would only occupy 28 bytes per particle (in single precision), as opposed to the 100/104 bytes per particle for a double precision {tt Body} from the standard {tt snapshot/body.h} macro file. This last one contains {tt Mass, PhaseSpace, Phi, Acc, Aux} and {tt Key}.

In the example listed under Table~ref{src:snapfirst} the first snapshot of an input file is copied to an output file.

begin{table}[tb] caption[source: snapfirst.c]{$NEMO/src/tutor/snap/snapfirst.c} mysrcfile{snapfirst.src} mylabel{src:snapfirst} small verbatimlisting{snapfirst.src} normalsize end{table}

#include <stdinc.h>         /* general I/O */
#include <getparam.h>       /* for the user interface */
#include <vectmath.h>       /* to define NDIM */
#include <filestruct.h>

#include <snapshot/snapshot.h>  /* Snapshot macros */
#include <snapshot/body.h>          
#include <snapshot/get_snap.c>  /*   and I/O routines */ 
#include <snapshot/put_snap.c>

string defv[] = {
    "in=???\n       Input snapshot",
    "out=???\n      Output snapshot",
    "VERSION=0.0\n  21-jul-93 PJT",
    NULL,
};

string usage="copy the first snapshot";

nemo_main()
{
   Body *btab = NULL;   /* pointer to the whole snapshot */
   int  nbody, bits;
   real tsnap;
   stream instr, outstr;

   instr = stropen(getparam("in"),"r");    
   outstr = stropen(getparam("out"),"w");
   get_history(instr);
   get_snap(instr, &btab, &nbody, &tsnap, &bits);
   put_history(outstr);
   put_snap(outstr,&btab, &nbody, &tsnap, &bits);
   strclose(instr);
   strclose(outstr);
}

Notice that the first argument of {tt stropen()}, the filename, is directly obtained from the user interface. The input file is opened for reading, and the output file for writing. Some historyfootnote{See next section for more details on history processing} is obtained from the input file (would we not have done this, and the input file would have contained history, a subsequent {tt get_snap()} call would have failed to find the snapshot), and the first snapshot is read into an array of bodies, pointed to by {tt btab}. Then the output file has the old history written to it (although any command line arguments were added to that), followed by that first snapshot. Both files are formally closed before the program then returns.

9.2.8. history.h

When performing high-level data I/O, as is offered by a package such as {tt get_snap.c} and {tt put_snap.c}, there is an automated way to keep track of data history. index{history.h}

When a NEMO program is invoked, the program name and command line arguments are saved by the {tt initparam()} in a special history database. Most NEMO programs will write such history items to their data-file(s) before the actual data. Whenever a data-file is then opened for reading, the programmer should first read these data-history items. Conversely, when writing data, the history should be written first. In case of the {tt get/put_snap} package:

get_history(instr);
get_snap(instr, &btab, &nbody, &time, &bits);
   /*     process data     */
put_history(outstr);
put_snap(outstr,&btab, &nbody, &time, &bits);

index{get_history} index{put_history} Private comments should be added with the {tt app_history()} index{app_history}index{add_history}index{readline, GNU} footnote{The old name, {tt add_history} was already used by the GNU {it readline} library} When a series of snapshot is to be processed, it is recommended that the program should only be output the history once, before the first output of the snapshot, as in the following example:

get_history(instr);
put_history(outstr);
for(;;) {
    get_history(instr);     /* defensive but in-active */
    get_snap(instr, &btab, &nbody, &time, &bits);
        /*     process data  and decide when done */
    put_snap(outstr,&btab, &nbody, &time, &bits);
}

Note that the second call to {tt get_history()}, within the for-loop, is really in-active. If there happen to be history items sandwiched between snapshots, they will be read and added to the history stack, but not written to the output file, since {tt put_history()} was only called before the for-loop. It is only a defensive call: {tt get_snap()} would fail since it expects only pure {tt SnapShot} sets (in effect, it calls {tt get_set(instr,”SnapShot”)} first, and would call {tt error()} if no snapshot encountered).

9.3. Building NEMO programs

mylabel{s:example}

Besides writing the actual code for a program, an application programmer has to take care of a few more items before the software can be added and formally be accepted to NEMO. This concerns writingindex{compiling, NEMO programs}index{linking, NEMO programs} the documentation and possibly a Makefile, the former one preferably in the form of standard UNIX manual pages ({it man(5)}). We have templates for both Makefile’s and manual pages. Both these are discussed in detail in the next subsections.

Because NEMO is a development package within which a multitude of people are donating software and libraries, linking a program can become cumbersome. In the most simple case however (no graphics or mathematical libraries needed), only the main NEMO library is needed, and the following command should suffice to produce an executable:

% cc -g -o snapprint snapprint $NEMOLIB/libnemo.a -lm

For graphics programs a solution would be to use the YAPPLIB environment variable.

Warning

YAPPLIB was deprecated a while back

An example of the compilation of a graphics program:

% cc -g -o snapplot snapplot.c -lnemo $YAPPLIB -lm

Each user is given a subdirectory in {tt $NEMO/usr}, under which code may be donated which can be compiled into the running version of NEMO. Stable code, which has been sufficiently tested and verified, can be placed in one of the appropriate {tt $NEMO/src} directories. For proper inclusion of user contributed software a few rules in the {tt Makefile} have to be adhered to.

The {tt bake}index{bake, make script} and {tt mknemo}index{mknemo, script} script should handle compilation and installation of most of the standard NEMO cases. Some programs, like the N-body integrators, are almost like complicated packages themselves, and require their own Makefile or install script. For most programs you can compile it by:

% bake snapprint

or to install:footnote{this assumes you have some appropriate NEMO permissions}

% mknemo snapprint

9.3.1. Manual pages

It is very important to keep a manual file (preferably in the UNIX man format) online for every program. A program that does not have an accompanying manual page is not complete. Of course there is always the inline help help=) that every NEMO program has. We have a script checkpars.py that will check if the parameters listed in help= are the same (and in the same order) as the ones listed in the MAN page.

To a lesser degree this also applies to the public libraries. A template roff sample can be found in example.8. We encourage authors to have a MINIMUM set of sections in a man-page as listed below. The ones with a ‘*’ are considered somewhat less important:

  • item[{bf NAME}] the name of the beast.

  • item[{bf SYNOPSIS}] command line format or function prototype, include files needed etc.

  • item[{bf DESCRIPTION}] maybe a few lines of what it does, or not does.

  • item[{bf PARAMETERS}] description of parameters, their meaning and default values. This usually applies to programs only.

  • item[{bf EXAMPLES}]

    (*) in case non-trivial, but recommended anyhow

  • item[{bf DEBUG}]

    (*) at what {tt debug} levels what output appears.

  • item[{bf SEE ALSO}]

    (*) references to similar functions, more info

  • item[{bf BUGS}]

    (*) one prefers not to have this of course

  • item[{bf TIMING}]

    (*) performance, dependence on parameters if non-trivial

  • item[{bf STORAGE}]
    (*) storage requirements - mostly of importance when programs

    allocate memory dynamically, or when applicable for the programmer.

  • item[{bf LIMITATIONS}]

    (*) does it have any obvious limitations?

  • item[{bf AUTHOR}]

    who wrote it (a little credit is in its place) and/or who is responsible.

  • item[{bf FILES}]

    (*) in case non-trivial

  • item[{bf HISTORY}] date, version numbers, why updated, by whom (when created)

9.3.2. Makefiles

Makefiles are scripts in which “the rules are defined to make targets”, see make(1) for many more details. In other words, the Makefile tells how to compile and link libraries and programs. NEMO uses Makefiles extensively for installation, updates and various other system utilities. Sometimes scripts are also available to perform tasks that can be done by a Makefile.

There are several types of Makefiles in NEMO:

  • item{1.} The first (top) level Makefile. It lives in NEMO’s root directory (normally referred to as {tt $NEMO}) and can steer installation on any of a number of selected machines, it includes some import and export facilities (tar/shar) and various other system maintenance utilities. At installation it makes sure all directories are present, does some other initialization, and then calls Makefile’s one level down to do the rest of the dirty work. The top level Makefile is not of direct concern to an application programmer, nor should it be modified without consent of the NEMO system manager.

  • item{2.} Second level Makefiles, currently in {tt $NEMO/src} and {tt $NEMO/usr}, steer the building of libraries and programs by calling Makefiles in subdirectories one more level down. Both this 2nd level Makefile and the one described earlier are solely the responsibility of NEMO system manager. You don’t have to be concerned with them, except to know of their existence because your top level Makefile(s) must be callable by one of the second level Makefiles. This interface will be described next.

  • item{3.} Third level Makefiles live in source or user directories {tt $NEMO/src/topic} and {tt $NEMO/usr/name} (and possibly below). They steer the installation of user specific programs and libraries, they may update NEMO libraries too. The user writes his own Makefile, he usually splits up his directory in one or more subdirectories, where the real work is done by what we could then call level 4 or even level 5 Makefiles. However, this is completely the freedom of a user. The level 3 Makefiles normally have two kinds of entry points (or ‘targets’): the user ‘install’ targets are used by the user, and make sure this his sources, binaries, libraries, include files etc. are copied to the proper places under {tt $NEMO}. The second kind of entry point are the ‘nemo’ targets and never called by you, the user; they are only called by Makefiles one directory level up from within {tt $NEMO} below during the rebuilding process of NEMO, {it i.e.} a user never calls a nemo target, NEMO will do this during its installation. Currently we have NEMO install itself in two phases, resulting in two ‘nemo’ targets: ‘nemo_lib’ (phase 1) and ‘nemo_bin’ (phase 2). A third ‘nemo’ target must be present to create a lookup table of directories and targets for system maintenance. This target must be called ‘nemo_src’, and must also call lower level Makefiles if applicable.

  • Testfile : this is a Makefile for testing (the make test command will use it)

  • Benchfile : this is a Makefile for benchmarks. Under development.

This means that user Makefiles {bf MUST} have at least these three targets in order to rebuild itself from scratch. In case a user decides to split up his directories, the Makefiles must also visit each of those directories and make calls through the same entry points ‘nemo_lib’ and ‘nemo_bin’, ‘nemo_src’; a sort of hierarchical install process.

For more details see the template Makefiles in NEMO’s sec subdirectories and the example below in section~ref{ss-example}.

We expect a more general install mechanism with a few more strict rules for writing Makefiles, in some next release of NEMO.

9.3.3. An example NEMO program

mylabel{ss-example} Under Table~ref{src:hello} below you can find a listing of a very minimal NEMO program, ``{tt hello.c}’’:index{nemo_main}index{hello.c}

begin{table}[tb] caption[source: hello.c]{$NEMO/src/tutor/hello/hello.c} mylabel{src:hello} mysrcfile{hello.src} small verbatimlisting{hello.src} normalsize end{table}

#include <nemo.h>                         /* standard (NEMO) definitions */

string defv[] = {       /* standard keywords and default values and help */
    "n=10\n                    Number of interations",           /* key1 */
    "VERSION=1.2\n             25-may-1992 PJT",                 /* key2 */
    NULL,               /* standard terminator of defv[] vector          */
};

string usage = "Example NEMO program 'hello'";        /* usage help text */

void nemo_main()                   /* standard start of any NEMO program */
{
    int n = getiparam("n");                          /* get n            */
    
    printf("Hello NEMO!\n");                         /* do some work ... */
    if (n < 0)                                       /* deal with fatal  */
       error("n=%d is now allowed, need >0",n);      /* errors           */
}
        

and a corresponding example Makefile to install by {em user} and {em nemo} could look like the one shown under Table~ref{src:makefile}

Note that for this simple example the {tt Makefile} actually larger than the source code, {tt hello.c}, itself. Fortunately not every programs needs their own Makefile, in fact most programs can be compiled with a default rule, via the {tt bake}index{bake, make script} script. This generic makefile is used by the {tt bake} command, and is normally installed in {tt $NEMOLIB/Makefile}, but check out your {tt bake} command or alias.

% newpage % centerline{bf Example Makefile}

begin{table}[htb] caption[source: makefile]{Sample makefile - cf. $NEMOLIB/Makefile} mylabel{src:makefile} mysrcfile{makefile.src} footnotesize verbatimlisting{makefile.src} normalsize end{table}

#       template Makefile to install NEMO binaries and libraries....
#       Usually installed as $NEMOLIB/Makefile and use by the 'bake' replace
#       ment of 'make'

CFLAGS = -g 
FFLAGS = -g -C -u

#
L = $(NEMOLIB)/libnemo.a
OBJFILES=
BINFILES=
TESTFILES=
#       Define an extra SUFFIX for our .doc file
.SUFFIXES: .doc

.c.doc: $*
        $* help=t > $*.doc
        @echo "### Normally this $*.doc file would be moved to NEMODOC"
        @echo "### You can also use mkpdoc to move it over"

help:
        @echo "Standard template nemo Makefile"
        @echo " No more help to this date"

clean:
        rm -f core *.o *.a *.doc $(BINFILES) $(TESTFILES)

cleanlib:
        ar dv $(L) $(OBJFILES)
        ranlib $(L)

$(L):   $(LOBJFILES)
        echo "*** Now updating all members ***"
        ar ruv $(L) $?
        $(RANLIB) $(L)
        rm -f $?
                                
lib:   $(L)

bin: $(BINFILES)

#       NEMO compile rules
.o.a:
        @echo "***Skipping ar for $* at this stage"

.c.o:
        @echo "***Compiling $*"
        $(CC) $(CFLAGS) -c $<

.c.a:
        @echo "***Compiling $* for library $(L)"
        $(CC) $(CFLAGS) -c $<

.c:
        @echo "***Compiling and linking $*"
        $(CC) $(CFLAGS) -o $* $*.c $(BL) $(L) $(AL) -lm

.o:
        @echo "***Compiling and linking $*"
        $(CC) $(CFLAGS) -o $* $*.o $(BL) $(L) $(AL) -lm

# any non-standard targets follow here

{bf Warning:}The structure of this so-called ‘standard’ NEMO Makefiles is still under debate, and will probably drastically change in some future release. Best is to check some local Makefiles. A possible candidate is the GNUindex{make, GNU} makeindex{gmake, GNU} facility.

9.4. Extending NEMO environment

Let us now summarize the steps to follow to add and/or create new software to NEMO. The examples below are suggested steps taken from adding Aarseth’s {tt nbody0} program to NEMO, and we assume him to have his original stuff in a directory {tt ~/nbody0}.

  • item[1:] Create a new directory, {tt “cd $NEMO/usr ; mkdir aarseth”}

    and inform the system manager of NEMO that a new user should be added to the user list in {tt $NEMO/usr/Makefile}. You can also do it yourself if the file is writable by you.

  • item[2:] Create working subdirectories in your new user directory,

    {tt “cd aarseth ; mkdir nbody0”}.

  • item[3:] Copy a third level Makefile from someone else, and substitute

    the subdirectory names to be installed for you, i.e. your new working subdirectories ({tt ‘nbody0’} in this case): {tt “cp ../pjt/Makefile . ; emacs Makefile”}.

  • item[4:] Go ‘home’ and install, {tt “cd ~/nbody0 ; make install”}, assuming

    the Makefile there has the proper install targets. Check the target Makefile in the directory {tt $NEMO/usr/aarseth/nbody0} what this last command must have done.

Actually, only step 1 is required. If a user cannot or does not want to confirm to the level 3/4 separation, he may do so, as long as the Makefile in level 3 (e.g. {tt $NEMO/usr/aarseth/Makefile}) contains the nemo_lib, nemo_bin and nemo_src install targets. An example of adding a foreign package that way is the {tt GRAVSIM} package index{GRAVSIM}, which has it’s own internal structure. In the directory tree starting at {tt $NEMO/usr/mbellon/gravsim} an example of a different approach is given. Sometimes public domain packages have been added to NEMO, and its Makefiles have been adapted slightly to the NEMO install procedure.

9.5. Programming in C++

Most relevant header files from the NEMO C libraries have been made entrant for C++. This means that all routines should be available through:

extern "C"  {
    .....
}

The only requirement is of course that the {tt main()} be in C++. For this you have to link with the NEMO++ library {bf before} the regular NEMO library. So, assuming your header (-I) and library (-L) include flags have been setup, you should be able to compile your C++ programs as follows:

% g++ -o test test.cc -L$NEMOLIB -lnemo++ -lnemo -lm

9.6. Programming in FORTRAN

Programming in FORTRAN can also be done, but since NEMO is written in C and there is no ‘standard’ way to link FORTRAN and C code, such a description is always bound to be system dependent (large differences exist between UNIX, VMS, MSDOS, and UNICOS is somewhat of a peculiar case). Even within a UNIX environment there are a number of ways how the industry has solved this problem (cf. Alliant). Most comments that will follow, apply to the BSD convention of binding FORTRAN and C.

In whatever language you program, we do suggest that the startup of the program is done in C, preferably through index{nemo_main} the {tt nemo_main()} function (see Section~ref{ss-example}). As long as file I/O is avoided in the FORTRAN routines, character and boolean variables are avoided in arguments of C callable FORTRAN functions, all is relatively simple. Some care is also needed for multidimensional arrays which are not fully utilized. The only thing needed are C names of the FORTRAN routines to be called from C. This can be handled automatically by a macro package.

Current examples can be found in the programs {tt nbody0} and {tt nbody2}. In both cases data file I/O is done in C in NEMO’s {it snapshot(5NEMO)} format, but the CPU is used in the FORTRAN code.

Examples of proposals for other FORTRAN interfaces can be found in the directory {tt $NEMOINC/fortran}.

Again this remark: the {it potential(5NEMO)} assumes for now a BSD type f2c interface, because character variables are passed. This has not been updated yet. You would have to provide your own f2c interface to use FORTRAN potential routines on other systems.

Simple FORTRAN interface workers within the snapshot interface are available in a routine {tt snapwork(n,m,pos,vel,…)}.

9.6.1. Calling NEMO C routines from FORTRAN

The NEMO user interface, with limited capabilities, is also available to FORTRANindex{fortran, calling C} programmers. First of all, the keywords, their defaults and a help string must be made available (see Section~ref{ss:getparam}). This can be done by supplying them as comments in the FORTRAN source code, as is show in the following example listed under Table~ref{src:testf2c}

begin{table}[htb] caption[testf2c.f]{$NEMO/src/kernel/fortran/test.f} mylabel{src:testf2c} mysrcfile{testf2c.src} small verbatimlisting{testf2c.src} normalsize end{table}

C       
C       Test program for NEMO's footran interface
C               25-jun-91  1.0
C               24-may-92  1.1
C               21-jul-93  1.2 for manual src file
C       Note the special comments C: C+ C- for 'ftoc'
C:      Test program for NEMO's footran interface
C+
C   in=???\n            Required (dummy) filename
C   n=1000\n            Test integer value
C   pi=3.1415\n         Test real value
C   e=2.3\n             Another test value
C   text=hello world\n  Test string
C   VERSION=1.1\n       24-may-92 PJT
C-
C
      SUBROUTINE nemomain         ! note the name !
C
C#include "getparam.inc"          ! if cpp is used to get at $NEMOINC
      INCLUDE 'getparam.inc'      ! use defs from $NEMOINC

      INTEGER n
      DOUBLE PRECISION pi,e
      CHARACTER text*40, file*80

      file = getparam('in')       ! get the CL parameters
      n = getiparam('n')
      pi = getdparam('pi')
      e = getdparam('e')
      text = getparam('text')

      WRITE (*,*) 'n=',n,' pi=',pi,' e=',e,' text='//text

      END

The documentation section between {tt C+} and {tt C-} can be extracted with a NEMO utility, {tt ftoc}, to the appropriate C module as follows:

% ftoc test.f test_main.c

after which the new {tt test_main.c} file merely has to be included on the commandline during compilation. To avoid having to include FORTRAN libraries explicitly on the commandline, easiest is to use the {tt f77} command, instead of {tt cc}:

% g77 -o test test.f test_main.c -I$NEMOINC -L$NEMOLIB -lnemo

This only works if your operating supports mixing C and FORTRAN source code on one commandline. Otherwise try:

% gcc -c test_main.c
% g77 -o test test.f test_main.o -L$NEMOLIB -lnemo

where the NEMO library is still needed to resolve the user interface of course.

9.6.2. Calling FORTRAN routines from NEMO C

No official support is needed, although for portablility it would be nice to include a header file that maps the symbol names and such.

9.7. Debugging

Apart from the usual debugging methods that everybody knows about, NEMO programs usually have the following additional properties which can cut down in debugging time. If not conclusive during runtime, you can either decide to compile the program with debugging flags turned on, and run the program through the debugger, or add more {tt dprintf}index{dprintf(3)} or {tt error}index{error(3)} function calls:

  • During runtime you can set the value for the {tt debug=}index{debug, system keyword} (or use the equivalent {tt DEBUG} environment variable) system keyword to increase the amount of output. Note that only levels 0 (the default) through 9 are supported. 9 should produce a lot of output.

  • During runtime you can set the value for the {tt error=}index{error, system keyword} (or use the equivalent {tt ERROR} environment variable) system keyword to bypass a number of fatal error messages that you know are not important. For example, to overwrite an existing file you would need to increase {tt error} by 1.