The Service Program

Revision: 1.3 Date: 1997/08/14 14:14:00


Contents

 
 
                                  PREFACE
                                  _______
 
    This  manual describes the ATMOL Service program, as implemented on the
Cyber-205 at UMRCC. This document is one in a series of twelve,  supporting
the ATMOL packages on the Cyber-205.
 
 
                               ATMOL MANUALS
                               _____________
 
 
                          1.   Introduction.
                          2.   Allocator.
                          3.   Gaussian Integrals.
                          4.   Gaussian Library.
                          5.   SCF.
                          6.   APSG.
                          7.   Transformation.
                          8.   Direct CI.
                          9.   Mulliken Analysis.
                         10.   Graphical Analysis.
                         11.   Property.
                         12.   Service.
 
 
 
                             TABLE OF CONTENTS
                             _________________
 
 
    1.   Introduction.                                               1
    2.   The SCAN Routine.                                           2
    3.   The LIST Routine.                                           2
    4.   The PUNCH Routine.                                          3
    5.   The SUMMARY Routine.                                        4
    6.   The CHECKSUM Routine.                                       4
    7.   The CHECK Routine.                                          5
    8.   The COPY Routine.                                           6
    9.   The EDIT Routine.                                           7
   10.   The MERGE Routine.                                          8
   11.   The ENDFILE Routine.                                        9
   12.   The COPYDUMP Routine.                                      10
   13.   The FINDDUMP Routine.                                      10
   14.   The STOP Routine.                                          11
   15.   Error Monitoring.                                          12
   16.   Specimen Jobs.                                             13
   17.   References.                                                15
 
 
 
 

Introduction


 
    The SERV program provides data handling  facilities  commonly  required
when handling ATMOL files, and is oriented towards manipulation of MAINFILE
datasets in particular. The program will copy, list, check, summarize, edit
etc  such  files. To invoke the SERV program on the Cyber-205 at UMRCC, use
the following JCL:
 
          PATTACH,ATMOL.
          SERV.
 
    Data   input  and  printed  output  is  on  FORTRAN  streams  5  and  6
respectively. There is normally no need to mention  these  streams  in  the
JCL.  Punched  output,  if requested, is routed to FORTRAN stream 7, and in
such cases the user should request a VSOS file with record type, RT=R  [1],
and VSOS local file name TAPE7.
 
    ATMOL  datasets  may  be assigned using any ATMOL file name (AFN). Some
functions of SERV (specifically COPY, EDIT,  COPYDUMP  and  MERGE)  require
input  and output areas on ATMOL files. It is possible for input and output
to be taken from the same ATMOL file, with certain restrictions which apply
when the input and output areas overlap. The following rules apply:
 
(a) Operations involving non-overlapping input and output areas are valid.
 
(b)  Operations involving overlapping areas are valid if the starting block
number of the output area is less than or equal to that of the input area.
 
(c) Operations involving overlapping areas  are  invalid  if  the  starting
block number of the output area is greater than that of the input area, and
yet within the input area.
 
    The SERV program does not require the use of large pages, so the MEMORY
and  LPAGE  pre-directives [2] are of no significance. The program does not
monitor time, so that the TIME pre-directive is also irrelevant;  only  the
WIDTH  and  FILE  pre-directives  are  applicable,  and should be presented
before the program specific data.
 
    SERV is a collection of routines, which may be called in any order,  as
dicated  by  the  user. Each routine will require some input data, and will
perform a task. When the task is complete, control is handed  to  the  next
routine nominated by the user. On successful completion, all routines reply
with the printed message:
 
               NAME COMPLETED
 
where NAME is the name of the routine. The routines will now  be  described
in turn.
 
 
The SCAN Routine
 
    Data is read to TEXT,DDSCAN,IBLK in format (2A,2I).
 
    TEXT   should be set to the string SCAN.
 
    DDSCAN specifies the AFN of the dataset to be SCANned.
 
    IBLK   specifies  the  starting   block   for   the   SCAN   operation.
Alternatively the character * may be used, when the SCAN will commence from
the 'current position' of the file. Note that at the start of execution all
files  are  positioned at block 1. The syntax '* + m' or '* - m' where m is
an integer may also be used, when IBLK will be the 'current position' +  or
- m respectively.
 
    SCAN  will  read  the nominated dataset from the block specified by the
IBLK paramter, until an ENDFILE block is  detected.  The  dataset  will  be
positioned  immediately  after  the  ENDFILE  block  on  termination of the
operation. SCAN will  read  blocks  with  invalid  checksum  words  without
diagnosing an error.
 
    example:
 
    To position MT4 immediately after the third ENDFILE block:
 
       SCAN MT4 1
       SCAN MT4 *
       SCAN MT4 *
 
The LIST Routine
 
    Data for LIST is read to TEXT,DDLIST,IBLK,NBLK in format (2A,2I).
 
    TEXT   should be set to the string LIST.
 
    DDLIST should be set to the AFN of the input dataset.
 
    IBLK   specifies  the  starting  block number of the file to be LISTed.
The * or * + m or * - m formats can be used, as in SCAN described above.
 
    NBLK   specifies the number of blocks to be LISTed. If NBLK is  set  to
zero (or omitted), listing continues until an ENDFILE block is detected.
 
    A  list  of the 2-electron integrals, with associated indices (labelled
I, J, K and L) in the dataset assigned with AFN DDLIST will be  printed  on
FORTRAN  stream 6. Listing commences from the block specified and continues
for NBLK blocks (or to an ENDFILE block if NBLK=0).
 
    example 1:
 
      LIST ED6   * + 1   0
 
    If the above is presented prior to any other operation on  ED6,  (which
will  therefore  be  positioned  at  block 1), then ED6 will be listed from
block 2 (* + 1 = 2) until an ENDFILE block is detected.
 
    example 2:
 
    To list MT5 from block 98 for 5 blocks:
 
      LIST MT5 98 5
 
The PUNCH Routine
 
    Data for the PUNCH directive is read to TEXT,DDPUNC,IBLK,NBLK in format
(2A,2I).
 
    TEXT   should be set to the string PUNCH.
 
    DDPUNC should be set to the AFN of the input dataset.
 
    IBLK   specifies the starting block of the input file. The *  or  * + m
or * - m formats may be used, as in SCAN described above.
 
    NBLK   specifies  the  number  of blocks to be PUNCHed. If NBLK is zero
(or omitted), the file will be PUNCHed until an ENDFILE block is detected.
 
    The 2-electron integrals, with associated indices,  as  stored  on  the
ATMOL  file  specified by the DDPUNC starting at block IBLK for NBLK blocks
(or until an ENDFILE block is  detected  if  NBLK=0)  will  be  punched  on
FORTRAN stream 7. Each line is produced by the FORTRAN code of the form:
 
      WRITE(7,1)ISEQ,N,(I(M),J(M),K(M),L(M),G(M),M=1,N)
1     FORMAT(I4,I2,2(4I4,F17.10)
 
where
 
    ISEQ      is a card sequence number.
 
    N         is an integer whose value may be 1 or 2.
 
    I,J,K,L,G are arrays to hold the indices and values respectively of  up
to  two  integrals.  ATMOL  blocks  normally contain 340 integrals, so each
block is likely to produce 170 punched records.
 
    example 1:
 
       PUNCH MT1 75 5
 
    MT1 will be PUNCHed starting at block 75 for 5 blocks.
 
    example 2:
 
      PUNCH ED2 * 0
 
    ED2 will be PUNCHed from the current position (block 1 if first access)
until an ENDFILE block is detected.
 
 
The SUMMARY Routine
 
    Data for SUMMARY is read to TEXT,DDSUM,IBLK,NBLK in format (2A,2I).
 
    TEXT   should be set to the string SUMMARY.
 
    DDSUM  should be set to the AFN of the dataset to be summarised.
 
    IBLK   specifies the starting block of the input file. The *  or  * + m
or * - m formats may be used, as in SCAN described above.
 
    NBLK   specifies  the number of blocks to be summarised. If NBLK is set
to zero (or omitted), the file will be summarised until an ENDFILE block is
detected.
 
    SUMMARY  causes  one  printed  line  per  ATMOL block, each block being
assumed to be used for the storage of 2-electron  integrals.  The  printing
consists  of  the  first  and  last  2-electron integral in the block (with
associated indices) plus the number of integrals stored in the block.
 
    example:
 
      SUMMARY MT4 1 0
 
    MT4 is summarised from block 1 until an ENDFILE block is detected.
 
The CHECKSUM Routine
 
    Data for CHECKSUM is read to TEXT,DDCHEK,IBLK,NBLK in format (2A,2I).
 
    TEXT   should be set to the string CHECKSUM.
 
    DDCHEK should be set to the AFN of the dataset to be CHECKSUMmed.
 
    IBLK   specifies the starting block of the input file. The *  or  * + m
or * - m formats can be used, as in SCAN described above.
 
    NBLK   specifies the number of blocks to be CHECKSUMmed. If set to zero
(or omitted), the dataset will be CHECKSUMmed until  an  ENDFILE  block  is
detected.
 
    CHECKSUM  scans the nominated blocks of the stated dataset. Blocks with
an invalid checksum words cause the message:
 
              BLOCK x CHECKSUM ERROR
 
to be printed, where x is the block number. ENDFILE blocks give rise to the
message:
 
              BLOCK x ENDFILE
 
    example:
 
       CHECKSUM ED2 1 999
 
ED2 will be CHECKSUMmed from block 1 for 999 blocks.
 
The CHECK Routine
 
    CHECK provides a more complete check facility for a 2-electron integral
file   than   is    provided    by    CHECKSUM.    Data    is    read    to
TEXT,DDCHEK,IBLK,NBLK,FP,FN in format (2A,2I,2F).
 
    TEXT   should be set to the string CHECK.
 
    DDCHEK specifies the AFN of the input dataset.
 
    IBLK   specifies  the  starting  block  of  the input dataset. The * or
* + m or * - m formats may be used, as in SCAN described above.
 
    NBLK   specifies the number of blocks to be CHECKed. If NBLK  is  zero,
CHECKing continues until an ENDFILE block is read.
 
    FP     is  a  positive  valued  variable whose value is used to monitor
positive valued 2-electron integrals. If such an integral is  found  to  be
greater than FP, its value plus associated indices is printed.
 
    FN     is  a  positive  valued  variable.  If  the  absolute value of a
negative value 2-electron integral is found to  be  greater  than  FN,  its
value  plus  its  associated  indice is printed. FN may be omitted, when it
will be assigned the value 0.5. If FN is  omitted,  then  FP  may  also  be
omitted when the latter will be assigned the value 5.0.
 
    CHECK  reads the nominated blocks of a given dataset, printing messages
if unusual conditions are met. The printing is of the general form:
 
              BLOCK x message
 
where x is the block number, and 'message'  denotes  explanatory  text,  as
follows:
 
   Message            Explanation
   _______            ___________
 
   CHECKSUM ERROR     The block has an invalid checksum word.
 
   NOT MAINFILE       The block is not in MAINFILE format.
 
   ENDFILE            An ENDFILE block has been read.
 
   G,I,J,K,L=         The characters g,i,j,k,l correspond to the
   g,i,j,k,l          value and associated indices respectively of a
                      2-electron integral. A +ve integral whose value
                      is greater than FP, or a -ve integral whose
                      absolute value is greater than FN has been read.
 
 
    example :
 
       CHECK MT5 * 0 8 .3
 
    MT5 will be CHECKed from the current  position  to  an  ENDFILE  block.
Positive  integrals  greater  than  8.0 or negative integrals with absolute
values greater than 0.3 will be flagged.
 
The COPY Routine
 
    Data for COPY  is  read  to  TEXT,DDIN,IBLK,DDOUT,JBLK,NBLK  in  format
(2A,I,A,2I).
 
    TEXT   should be set to the string COPY.
 
    DDIN   specifies the AFN of the input dataset.
 
    IBLK   specifies  the  starting  block  of  the input dataset. The * or
* + m or * - m formats may be used, as in SCAN described above.
 
    DDOUT  specifies the AFN of the output dataset.
 
    JBLK   specifies the starting block of the output  dataset.  The  *  or
* + m or * - m formats may be used, as in SCAN described above.
 
    NBLK   specifies the number of blocks to be copied. If NBLK is zero (or
omitted), the copy continues until an ENDFILE block is read from the  input
file. In this case the ENDFILE block is copied to the output file.
 
    example 1:
 
       COPY ED2 11 MT2 * 0
 
    ED2  will  be  copied from block 11 until an ENDFILE block is detected,
the copied blocks being routed to MT2 starting at the current position.
 
    example 2:
 
      COPY ED4 500 ED4 499 10
 
    The above illustrates a valid 'intra'  dataset  copy  with  overlapping
input  and  output  areas.  The effect is to move the information one block
down the dataset.
 
    example 3:
 
      COPY ED4 500 ED4 501 10
 
    The above illustrates an invalid 'intra' dataset copy. An error will be
diagnosed  when  block  501 is read, since it will have been overwritten by
the copied block 500.
 
 
The EDIT Routine
 
    EDIT is used to selectively copy  MAINFILE  datasets.  Integrals  whose
absolute  value  are  less  than  an  input threshold are not copied to the
output dataset. The first line of data is read to  TEXT,DDOUT,JBLK,IACC  in
format (2A,2I).
 
    TEXT   should be set to the string EDIT.
 
    DDOUT  specifies the AFN of the output dataset.
 
    JBLK   specifies  the  starting  block  of the output dataset. The * or
* + m or * - m formats may be used, as in SCAN described above.
 
    IACC   the  quantity  10**(-IACC)  is  calculated,  and  used  as   the
threshold.
 
    Subsequent  lines  define  the  input  files,  each  line being read to
DDIN,IBLK,LBLK in format (A,2I). An EDITed copy of the dataset specified by
DDIN  starting  at  block  IBLK and continuing up to but not including LBLK
will be for output. Thus LBLK-IBLK blocks of the input file are read. The *
or * + m or * - m formats may be used to specify IBLK, as in SCAN described
above. If LBLK is zero (or omitted), EDITing will continue until an ENDFILE
block is read from the input dataset. Further 'input file definition lines'
may be presented, the output generated by each line being appended  to  the
already  generated  EDIT output. The sequence is terminated by a line whose
first field contains the string  END.  The  routine  will  then  append  an
ENDFILE block to the output dataset.
 
    example 1:
 
       EDIT MT4 1 60
       ED2 1 0
       ED3 1 0
       END
 
    The MAINFILE held in two sections starting at block 1 of ED2 and ED3 is
edited  to  MT4  starting  at block 1, where it will be held as one section
terminated by an ENDFILE block. The threshold of 10**(-60) ensures that all
integrals are transcribed.
 
    example 2:
 
       EDIT ED2 1 7
       ED3 1 0
       END
 
    ED3  will  be EDITed to ED2, both files commencing at block 1. The EDIT
terminates when an ENDFILE  block  is  read  from  ED3.  The  threshold  is
10**(-7), so the output file would be expected to be shorter than the input
file. Use of the output file would reduce the  time  required  for  an  SCF
cycle,  for  example.  If  an  editing threshold of 10**(-7) is used, it is
unreasonable to converge the SCF to an accuracy better than 10**(-4).
 
 
The MERGE Routine
 
    It is necessary to read the  present  notes  in  conjunction  with  the
integrals  program  documentation  [3],  in  particular  the GTOS and MERGE
directives thereof.
 
    The MERGE idea is based upon the fact that frequently the  user  wishes
to  perform  a  calculation  on  a  'new' molecular system which is closely
related to some previous  studied  'old'  system.  Many  of  the  integrals
required  in  the  'new'  calculation  will  be  available  from  the 'old'
calculation,  and  can  be  re-used.  The  basis  functions  of  the  'new'
calculation are classified as:
 
    OLD   Such  functions  appear  in  the  'old'  calculation,  centred at
identical positions, and with identical radial and angular functional form.
 
    NEW   Such  functions  have  no  exact   counterpart   in   the   'old'
calculation.
 
    The  2-electron  integrals  of  the 'new' calculation may be classified
thus:
 
(a) Integrals involving four OLD basis functions. We assign these integrals
to the set X. Set X integrals are available from the 'old' calculation.
 
(b)  Integrals  involving  at least one NEW basis function. We assign these
integrals to the set Y. Set Y integrals are not available  from  the  'old'
calculation,  and  must  be  calculated using a Gaussian integrals program.
Thus in the 'new' calculation, basis functions are declared OLD or  NEW  as
appropriate, and set Y integrals are placed on a MAINFILE which we refer to
as the NEW  FILE.  This  program  also  performed  the  'old'  calculation,
producing  an  OLD  FILE  in so doing. Note that the same integrals program
(INTEGV or INTEGW) must be used in both the 'old' and 'new' calculations.
 
    MERGE extracts from the OLD FILE  all  integrals  of  the  set  X,  and
outputs  these  to  the  MERGEFILE.  Note  that  an OLD function may have a
different index in the 'new' calculation when compared  with  that  in  the
'old' calculation. For example, if the 'new' basis set differs from the old
by the addition of a single function at the start of the  'new'  basis  set
list,  then  all  functions which appeared in the 'old' calculation indexed
from 1 up will appear in the 'new' calculation indexed  from  2  up.  MERGE
provides  suitable  re-indexing facilities. The NEW FILE and the MERGE FILE
comprise the complete list of 2-electron integrals required,  for  example,
by  the  SCF  program  [4],  and  should be presented to that program under
control of its MFILE directive.
 
    The first line of data for MERGE is read to TEXT,DDOUT,JBLK  in  format
(2A,I).
 
    TEXT   should be set to the string MERGE.
 
    DDOUT  specifies  the  AFN of the output dataset, which is used to hold
the MERGE FILE.
 
    JBLK   specifies the starting block of the MERGE FILE. The *  or  * + m
or * - m formats may be used, as in SCAN described above.
 
    The  next  phase  of  data  input consists of a number of lines read to
I,J,K in format (3I). Each line specifies that functions I to J (inclusive)
in  the 'old' calculation appear as OLD functions in the 'new' calculation,
indexed K onwards.  Such  'basis  function  re-indexing  lines'  should  be
presented  until  all  OLD  functions  in  the  'new' calculation have been
re-indexed. The sequence is terminated by a line with the string END in the
first data field.
 
    The  final  phase  of  data input consists of a sequence of 'input file
definition lines', each line being read to DDIN,IBLK,LBLK in format (A,2I).
Each  'input  file  definition  line' specifies a section of the input file
(OLD FILE). Thus for each section, the dataset specified by  DDIN  will  be
read  starting  at block IBLK (* or * + m or * - m formats may be used) and
continuing up to, but not including LBLK, so that the number of blocks read
will be LBLK-IBLK. LBLK may be set to zero, when input processing continues
until an ENDFILE block is detected.
 
    All integrals involving four OLD functions (set X) will be  transcribed
to  the  MERGE  FILE, with appropiate adjustment of the associated indices.
The output generated by each section of the OLD FILE  is  appended  to  the
MERGE FILE. When all the 'input file definition lines' have been presented,
the sequence is terminated by a line with  the  string  END  in  the  first
field. An ENDFILE block will be appended to the output file.
 
    example:
 
    Consider  the  25  basis  function  H2O monomer example shown in [3,4].
Suppose now it is desired to add an s-orbital to  the  oxygen  basis,  this
extra function appearing as basis function 5 in the 'new' calculation. Thus
basis functions 1-4 of the 'old'  and  'new'  calculations  are  identical,
while  basis  functions  5-25  of the 'old' calculation appear as functions
6-26 in the 'new'. The input OLD FILE is on ED2 starting at  block  1.  The
MERGE  FILE  is to be routed to ED2 commencing at block 100. Data for MERGE
would be:
 
      MERGE ED2 100
      1 4 1
      5 25 6
      END
      ED2 1 0
      END
 
The ENDFILE Routine
 
    Data for ENDFILE is read to TEXT,DDOUT,JBLK in format (2A,I).
 
    TEXT   should be set to the string ENDFILE.
 
    DDOUT  specifies the AFN of the output dataset.
 
    JBLK   specifies  the  block  number  where  an  ENDFILE block is to be
written. The * or * + m or * - m formats may be used, as in SCAN  described
above.
 
    example:
 
    To write an ENDFILE block to MT0 at the current position:
 
      ENDFILE MT0 *
 
The COPYDUMP Routine
 
    Data for  COPYDUMP  is  read  to  TEXT,DDIN,IBLK,DDOUT,JBLK  in  format
(2A,I,A,I).
 
    TEXT   should be set to the string COPYDUMP.
 
    DDIN   specifies the AFN of the input dataset.
 
    IBLK   specifies  the  starting  block  of  the  DUMPFILE  on the input
dataset. The * or * + m or * - m formats may be used, as described in  SCAN
above.
 
    DDOUT  specifies the AFN of the output dataset.
 
    JBLK   specifies  the  starting  block  of the output dataset. The * or
* + m or * - m formats may be used as in SCAN described above.
 
    The DUMP FILE resident on the dataset nominated by DDIN,  and  starting
at  block  IBLK,  is  copied  to the dataset nominated by DDOUT starting at
block JBLK.
 
    example:
 
      COPYDUMP ED2 1 MT2 *
 
    The DUMP FILE at block 1 of  ED2  is  copied  to  MT2  at  the  current
position.
 
The FINDDUMP Routine
 
    Data  for  FINDDUMP  is  read  to  TEXT,DDIN,IBLK,NBLK,TEST  in  format
(2A,2I,A).
 
    TEXT   should  be  set  to  the  string  FINDDUMP,  (FINDUMP  is   also
acceptable).
 
    DDIN   specifies the AFN of the input dataset.
 
    IBLK   specifies  the starting block number of the input file. The * or
* + m or * - m formats may be used, as in SCAN described above.
 
    NBLK   specifies the number of blocks to be read. NBLK may not  be  set
to zero.
 
    TEST   should  be set to one of the strings HIGH or LOW. If omitted the
default is LOW.
 
    The  nominated  blocks  will  be searched for evidence of DUMP FILEs. A
summary of any DUMP FILEs detected  will  be  printed,  the  scale  of  the
printing  being  controlled  by the setting of TEST. If TEST=HIGH, a fairly
complete listing will be issued; if TEST=LOW, a  minimal  summary  will  be
produced. FINDDUMP will skip blocks with invalid checksum words.
 
    example:
 
      FINDDUMP ED3 1 600 HIGH
 
will  cause  the  first  600 blocks of ED3 to be searched for DUMP FILES. A
complete listing of any DUMP FILEs found will be produced.
 
The STOP Routine
 
    The STOP directive must be the last presented, and consists of one line
with  either  the  string  STOP or EXIT in the first field. All ATMOL files
will be closed, and execution ended.
 
 
 

Error Monitoring


 
    A brief explanation of the possible ATMOL error codes is given below:
 
  Error Code   Explanation
  __________   ___________
 
          16   Directive unknown.
          42   AFN not recognized.
          44   Input and output areas on the same file,
               and an illegal 'overlap' situation has arisen.
          45   Invalid re-indexing parameter in the MERGE option.
          50   Invalid parameter in WIDTH pre-directive.
          61   Index block of DUMP FILE not in correct format.
          62   ATMOL block with invalid checksum has been read,
               or input/output error on ATMOL file. If the
               latter, a finite VSOS error code will be given
               whose explanation will be found in [1].
          63   A DUMP FILE Section number outside the
               allowed range 1 to 190 has been specified.
          67   Illegal search of an ATMOL file.
          68   Illegal character found in F-format data field.
          69   Illegal character found in I-format data field.
         450   The NBLK parameter in FINDDUMP is less than 1.
         451   TEST parameter of FINDDUMP not recognized.
         666   End of file condition detected on FORTRAN stream 5.
               The program expects more data.
        3333   AFN not recognized in the FILE pre-directive.
 
 
 

Specimen Jobs


 
    Specimen Job 1:
 
    The following job is used to copy a MAINFILE dataset from  block  1  of
ED4  to block 1 of MT4, the copy operation being terminated when an ENDFILE
block is detected. The next stage of the job consists  of  copying  a  DUMP
FILE  from  ED4 (at block 600) to MT4, starting at the position left by the
first copy operation. Finally, an ENDFILE block is appended MT4.
 
     /*JOB JOBNAME,ACCOUNT,ST=(C20,LP=0,WS=256),PW=PASSWORD,TI=9,C=A
     PATTACH,ATMOL.
     ATTACH,FILEA,ACC=RW.
     REQUEST,FILEB,RT=U.
     SERV.
     DEFINE,FILEB.
     ####S
     FILE ED4 FILEA MT4 FILEB
     COPY ED4 * MT4 * 0
     COPYDUMP ED4 600 MT4 *
     ENDFILE MT4 *
     STOP
     ####S
 
 
 
    Specimen Job 2:
 
    The  job  shown below uses the datasets ED2V and ED3V, generated by the
test examples in [3] and [4]. The first phase of the  job  uses  the  MERGE
routine  to  re-index  the basis functions 2 - 10 to 1 - 9, output being to
ED6. The next two stages involve the LIST routine, the  whole  of  ED6  and
block  3 of ED2 being LISTed. Finally, FINDDUMP is used to examine the DUMP
FILE on ED3 at block 1.
 
     /*JOB JOBNAME,ACCOUNT,ST=(C20,LP=0,WS=256),PW=PASSWORD,TI=9,C=A
     PATTACH,ATMOL.
     REQUEST,ED6X,RT=U.
     ATTACH,ED2V,ED3V,ACC=RW.
     SERV.
     ####S
     FILE ED6 ED6X ED2 ED2V ED3 ED3V
     MERGE ED6 1
     2 10 1
     END
     ED2 1 0
     END
     LIST ED6 1 0
     LIST ED2 3 1
     FINDDUMP ED3 1 1 HIGH
     EXIT
     ####S
 
 
 

References


 
  [1] CDC VSOS Manual, Form 60459410, Control Data Corporation;
      VSOS Reference Manual, NAT 208, University of Manchester
      Regional Computer Centre, (1985).
  [2] D. Moncrieff and V.R. Saunders, ATMOL-Introductory Notes.
  [3] D. Moncrieff and V.R. Saunders, ATMOL-Integrals program.
  [4] D. Moncrieff and V.R. Saunders, ATMOL-SCF program.