NJOY 99.0 31 Dec 99
-----------------------------------------------------------------------
This is version 99.0 of the NJOY nuclear data processing system. It
is a cleaned up version of NJOY 97 that moves further towards using
modern block structures instead of statement numbers for flow control
(but some routines still use statement numbers!). Physical constants
have been moved into a few global common blocks and standardized to
the current NIST CODATA values. The bulk of the changes are in the
ACER module, where we support several new features scheduled to
appear early in the year 2000 in MCNP4c, and where we provide data
for high-energy problems, incident charged particles, and photonuclear
reactions for MCNPX. We also fix the NJOY Y2K problem! Note that
there are two new test problems:
Problem 13 is to demonstrate the new MCNP formats
and ACE plotting.
Problem 14 is to demonstrate ACE incident proton
data and MCNPX format.
To help the user, the following sections start with specific key
phrases; use your editor to search for the desired topics.
<< The NJOY Nuclear Data Processing System >>
<< NJOY documentation >>
<< distribution files >>
<< installation on unix machines >>
<< installation on DOS/Windows machines using Lahey LF95 >>
<< installation on DOS/Windows machines using Absoft f90 >>
<< revision control with upd >>
<< notes on machine dependencies >>
<< test problems >>
This version has been tested on a Sun Ultra using f77, on an SGI
Origin 2000 using f90, on X86 machine using Absoft f90 and Lahey LF95,
and on a linux machine using g77 and Portland Group f77. Caution:
problems were seen for some systems when optimization was used.
Supporting files for other systems have to be updated from the NJOY97
versions by analogy with the NJOY99 versions. Users not supported
by the files in this distribution are requested to send back the
appropriate patches for their machines for further distribution.
-----------------------------------------------------------------------
<< The NJOY Nuclear Data Processing System >>
The NJOY Nuclear Data Processing System is a modular computer code
used for converting evaluated nuclear data in the ENDF format into
libraries useful for applications calculations. Because the
Evaluated Nuclear Data File (ENDF) format is used all around the
world (e.g., ENDF/B-VI in the US, JEF-2.2 in Europe, JENDL-3.2 in
Japan, BROND-2.2 in Russia), NJOY gives its users access to a wide
variety of the most up-to-date nuclear data. NJOY provides
comprehensive capabilities for processing evaluated data, and it
can serve applications ranging from continuous-energy Monte Carlo
(MCNP), through deterministic transport codes (DANT, ANISN, DORT),
to reactor lattice codes (WIMS, EPRI). The modular nature of NJOY
makes it easier to add output for other kinds of application
libraries or to add new computational features. NJOY handles a
wide variety of nuclear effects, including resonances, Doppler
broadening, heating (KERMA), radiation damage, thermal scattering
(even cold moderators), gas production, neutrons and charged
particles, photoatomic interactions, photonuclear reactions, self
shielding, probability tables, photon production, and high-energy
interactions (to 150 MeV). Output can include printed listings,
special library files for applications, and Postscript graphics
(plus color).
-----------------------------------------------------------------------
<< NJOY documentation >>
New documentation for NJOY99 is not yet available. In the meantime,
use the NJOY91 documentation in the report "The NJOY Nuclear Data
Processing System, Version 91," LA-12740-M (1994). The differences
in user input will be found in the Userinp file that comes with the
distribution, or in the comments in the source code. For more
information on LEAPR, see "New Thermal Neutron Scattering Files for
ENDF/B-VI Release 2," LA-12639-MS (1994). The reports are
available by request or in Postscript form in the Publications area
of http://t2.lanl.gov/. In addition, there are tutorials on the
ENDF system and NJOY97 available in http://t2.lanl.gov/endf and
http://t2.lanl.gov/njoy.
-----------------------------------------------------------------------
<< distribution files >>
The distribution files for NJOY 99 are as follows:
Readme0 this information file
Userinp text file of NJOY input instructions
src upd source file (contains *deck cards)
up0 upd directives input file for 99.0
upsun specialized updates for Sun workstations
upsun8 specialized updates for Sun using -dbl option
upcray specialized updates for UNICOS at Los Alamos
uprs6k specialized updates for IBM RS/6000 machines
updecau specialized updates for DEC Alpha unix
uplinux specialized updates for linux using g77
upabs specialized updates for dos Absoft f90
uplf95 specialized updates for dos Lahey LF95
makef.sun Sun make file for maintaining njoy
makef.sun8 Sun make file for for -dbl option (see upsun8)
makef.cray UNICOS make file for maintaining njoy
makef.rs6k IBM RS/6000 make file for maintaining njoy
makef.decau DEC Alpha unix make file for f90
makef.linux make file for linux using the g77 compiler
makef.abs make file for dos Absoft f90
install.bat install script for Lahey LF95
load.bat load script for Lahey LF95
in01 unix shell script to run test problem 1
run01.bat DOS batch file to run test problem 1
in01.dat input data for DOS run of test problem 1
out01 test problem 1 output from Sun Ultra 60
pend01 test problem 1 PENDF from Sun Ultra 60
in02 .
run02.bat .
in02.dat .
out02 .
pend02 .
in03 .
run03.bat .
in03.dat .
out03 .
plot03.ps .
in04 .
run04.bat .
in04.dat .
out04 .
in05 .
run05.bat .
in05.dat .
out05 .
plot05.ps .
in06 .
run06.bat .
in06.dat .
plot06.ps .
in07 .
run07.bat .
in07.dat .
out07 .
pend07 .
ace07 .
in08 .
run08.bat .
in08.dat .
out08 .
pend08 .
ace08 .
in09 .
run09.bat .
in09.dat .
out09 .
pend09 .
in10 .
run10.bat .
in10.dat .
out10 .
pend10 .
ace10 .
in11 .
run11.bat .
in11.dat .
out11 .
wims11 .
in12 .
run12.bat .
in12.dat .
out12 .
pend12 .
plot12.ps .
in13 .
run13.bat .
in13.dat .
out13 .
pend13 .
ace13 .
plot13.ps .
in14 .
run14.bat .
in14.dat .
out14 .
ace14 .
plot14.ps .
gam23 input data for test problem
gam27 input data for test problem
t322 input data for test problem
t404 input data for test problem
t511 input data for test problem
eni61 input data for test problem
epn14 input data for test problem
upd.f version-control code for updating njoy
(this version writes module.f)
-----------------------------------------------------------------------
<< installation on unix machines >>
For the initial installation...
Make sure the following files are in your working directory:
makef.xxx for your system
upd.f
src
up0
upxxx for your system
and do the following:
cp makef.xxx Makefile
f90 -o upd upd.f (or cf90, f77, g77, ...)
cat up0 upxxx > upn
(check upn to make sure that "*set sw" is present, if needed)
upd
make
xnjoy is your executable file
module.f is a fortran compiler input file
module.o is an object deck
To make a change to NJOY 99.0 on unix ...
Make sure the following files are available:
upd (the executable version)
upn (the expanded version)
src
Makefile
module.f files
module.o files
previous xnjoy
Edit upn to add the new upd "ident" and to list which
modules need to be updated; for example,
*cpl groupr
*ident fixbug
*/ fix a hypothetical bug in groupr
*d groupr.444,445
*ident vers
...
Then just do the following:
upd
make
Versions of the test problem input files in unix script
form are included in the distribution of NJOY 99.0.
To run the test problems, move the input scripts to a
test directory created in the directory that contains the
xnjoy file, and then simple type
sh in01
and so on. Compare the resulting files, such as out01
and pend01, to the ones included in the distribution;
e.g.,
diff out01 ../out01 > difs-out1
-----------------------------------------------------------------------
<< installation on DOS/Windows machines using Lahey LF95 >>
For the initial installation...
Open DOS command window and change the active directory
to the NJOY99 working directory.
Make sure that your working directory for NJOY99 contains the
following files:
src
up0
uplf95
upd.f
install.bat
load.bat
(combine up0 and uplf95 into upn)
copy up0+uplf95 upn
(make sure that upn contains "*cmp all" and "*set sw")
(compile upd)
lf95 upd.f -out upd.exe
(make the module.f files)
upd
(compile and load all the modules)
install
The final executable code will be njoy.exe.
To run the test problems ...
Create a subdirectory in your NJOY working directory called test.
Move the in*.dat and run*.bat files into test. Make sure the
following data files are available in your working directory (that
is, the directory that contains test):
t322
t404
t511
eni61
epn14
gam23
gam27
Using a DOS window, cd into test, and type "run01". Continue
for run02, run03, etc. The result files, such as out01, out02,
etc., will appear in the test directory. Compare the result files
in the test directory with the one from the original distribution.
To make changes to NJOY99 in the Lahey LF95 environment ...
Edit upn to add the new upd "ident" and to list which
modules need to be updated; for example,
*cpl groupr
*ident fixbug
*/ fix a hypothetical bug in groupr
*d groupr.444,445
*ident vers
...
Run upd from a DOS window. Run the compiler on the new deck
or decks:
lf95 -c deck.f
Run the load script to rebuild the binary njoy.exe:
load
-----------------------------------------------------------------------
<< installation on DOS/Windows machines using Absoft f90 >>
For the initial installation...
Make sure the following files are in your working directory:
makef.abs
upd.f
src
up0
upabs
and do the following:
copy makef.abs Makefile
f90 -o upd.exe upd.f
copy up0+upabs upn
(check upn to make sure that the following lines are present
at the start of the upn file: "*cpl all", "*lst all",
"*set sw", and "*noid")
upd
amake
njoy.exe is your executable file
module.f is a fortran compiler input file
module.lst is a listing file
module.obj is an object deck
Note the Absoft f90 doesn't like to have text beyond column 72.
Therefore, we provide the module.lst files to give an easy way to
see the upd reference numbers for each line. The module.f files
do not have line identifiers.
To make a change to NJOY 99.0 ...
Make sure the following files are available:
upd (the executable version)
upn (the expanded version)
src
Makefile
module.f files
module.obj files
previous njoy.exe
Edit upn to add the new upd "ident" and to list which
modules need to be updated; for example,
*cpl groupr
*lst groupr
*noid
*set sw
*ident fixbug
*/ fix a hypothetical bug in groupr
*d groupr.444,445
*ident vers
...
Then just do the following:
upd
amake
Versions of the test problem input files in for dos are
given in two parts, a runXX.bat file, and an inXX.dat file
that is used by the batch file. To run the test problems,
move the input scripts to a test directory created in the
directory that contains the njoy.exe file, and then simply
type
run01
and so on. Various output, pendf, ace, and Postscript files
will be generated in the test directory.
-----------------------------------------------------------------------
<< version control with upd >>
Early versions of NJOY were maintained with CDC or Cray UPDATE,
or with the UPEML update emulator from Sandia National Laboratory.
This approach had the problems that not everybody had UPDATE and
that UPEML wasn't exactly compatible with UPDATE for changes made
upon earlier changes. For these reasons, NJOY was provided with
its own version control program called UPD. This program performs
the same functions as UPDATE, but it is very simple in order to make
it easier to transport the code to a variety of computer systems.
UPD has evolved slightly from version to version of NJOY, and the
version for NJOY 97 and NJOY99 works a little differently than the
preceding version.
The original text of NJOY 99 is given in a file called "src",
which contains "*deck module" cards at the start of each NJOY
module (njoy, reconr, etc.). No binary program library is used.
UPD directives are given in the file "upn". Each set of
directives starts with the statement "*ident name" and contains
additional statements like "*i address" or "*d address"
followed by the text to be inserted or deleted. The UPD
addresses can have forms like the following:
reconr.151
groupr.522,533
matxsr.111,up20.33
The NJOY Quality Assurance program requires that idents be added
to the upn file in strict sequence. The first card after each
"*ident name" card must be a comment card giving the module, date,
and purpose for the change in the form
*/ groupr -- 30 Mar 95 -- fix problem with c.p. elastic
*/ reported by NEA-DB
An ident should contain changes for only one module. Once an
ident has been finished, dated, and released, it should never
be changed directly. It should only be changed by some subsequent
ident using line numbers like "up20.33". The conventional name
for "official" idents are "up1", "up2", "up3", and so on. The
corresponding version names would be "99.1", "99.2", "99.3", and
so on. The last ident in upn is always "*ident vers", which
has the following form:
*ident vers
*/ update the version name and date
*/ to reflect the date of the latest modifications
*d njoy.8,9
c * version 99.0 *
c * 31 Dec 99 *
*d njoy.279
data vers/'99.0 '/
This ident is changed as each ident is added to reflect the
current version number and date. The result of this procedure
is that it is always possible to determine what version was
used to run a particular problem, and knowing the version, it
it possible to determine the exact configuration of the code
for any run.
Code changes for different computer systems are handled by UPD
in two ways. Generic changes are handled by "*if" constructs
in the source file. Currently, only one such option is implemented.
Add the card "*set sw" at the start of upn for "short-word"
machines (32-bit words). More specific system changes are included
in a machine ident that must be copied onto the end of the upn
file. Examples are given in the distribution (see upsun,
upuni-la, upuni-sd, etc.). These updates normally do things like
change the names of the local time and date routines and personalize
the NJOY "banner" for the specific laboratory.
It is usually easy to transport UPD between different computer
systems. Unit 6 is intended for writing on the screen or
an equivalent log file. This is the default for many systems.
UPD can put out two different kinds of files, a conventional
compiler input file "module.f", and a special listing file
"module.lst". Beginning with UPD for NJOY 97, the code can
write out several updated modules during one pass for more
efficiency. For example, "*cpl reconr,broadr" would write
out compile files for the two modules RECONR and BROADR. Then
a simple "make" would recompile these two new decks and
relink them into the NJOY executable. Similarly, "*lst groupr"
would make a new listing file for GROUPR. For new installations,
"*cpl all" and "*lst all" will make all the compile and listing
files. Just typing "make" will then finish the entire
installation.
----------------------------------------------------------------------
<< notes on machine dependencies >>
We have tried to keep all routines that depend on the particular
machine, operating system, or compiler being used in the NJOY
module. We have provided "upxxx" files and special "makef.xxx" files
that will incorporate machine dependencies into NJOY for system that
we are able to test ourselves. Other files have sometimes been
contributed by users with access to other systems. If you have to
bring the code up on a new system, these existing files may help to
guide you.
One of the machine dependencies that has always been around is the
differences in time and date calls on different system. With the
advent of Fortran-90, this has been partly alleviated. However,
Fortran-90 doesn't have an intrinsic routine to return the amount
of system time that has been used by a job. Some of our upxxx files
just return a run time based on the system clock, which would not be
accurate in a multi-processing environment. The LANL Cray system
provides the "second" call, which works fine. You'll just have to
try to provide the best option available on your own local system.
Starting late in the NJOY94 series, we changed over to using the
SLATEC libraries for fundamental math routines, because they are
very accurate, and they can be used without restrictions. These
routines require some basic parameters to describe the real number
system used by your computer. The source code gives some options for
mostly obsolete systems. Most modern machines use IEEE arithmetic,
and one of the sets of constants included in our upxxx file should
be OK. However, you would be well advised to check your system's
documentation to more specific values for these parameters. Note
that different sets of parameters are used on 32-bit (real*8)
systems and 64-bit systems (like the Cray).
There are still some problems with number systems and word length
on the machines in wide use today. Classical 32-bit machines
work fairly well in NJOY99 using real*8 variables. As a rule, these
machines and compilers do not support integer*8 variables. This
can create word-alignment problems, and we have tried to fix them.
However, some cases require binary records with mixed real and
binary elements (CCCC-type files). In these cases, we have had to
limit ourselves to 32-bit accuracy using real*4 and integer*4
values.
In some cases, the compilers have "-r8", "-i8", or "-dbl"
options that automatically promote code written to 64-bit standards
to run on 32-bit machines. This seems to work OK for NJOY on
some systems. However, you have to be sure that the set of compiler
options that you use promotes both reals and integers to 64-bit
size in order to prevent word-alignment problems. Unfortunately,
neither linux g77 nor Sun f90 support such an autodoubling option,
which is one of the reasons that we provided explicit doubling in
NJOY99.
The new generation of machines with 64-bit chips, such as the Sun
Ultra, promise to eliminate this problem. However, the current
compilers are not always completely 64-bit capable, and their
abilities to use mixed real*8 and integer*8 data may be limited.
Therefore, we are currently treating them just like 32-bit systems.
Cray machines have always used 64-bit variables for both reals and
integers, and there are no problems with mixed data. However, note
that Cray arithmetic uses more bits in the exponents or real numbers
and fewer in the fraction part. Therefore, numbers on the Cray
have slightly less precision than those on the IEEE-type machines.
----------------------------------------------------------------------
<< test problems >>
An extensive set of test problems is provided with NJOY99, both to
check an installation, and to provide examples of how to use NJOY.
In order to provide continuity to earlier versions, we still use
fairly old ENDF/B-III, -IV, and -V files for these tests. They also
tend to have less detail than the new ENDF/B-VI files, which make
the test problems run faster. Simple unix scripts or DOS batch
files make it fairly easy to run the test problems.
Problem 1: This one runs on carbon to check RECONR for materials
with no resonance parameters, to do Doppler broadening to 300K,
to calculate heating KERMA and radiation damage, and to calculate
the thermal scattering from graphite. The pointwise (PENDF)
results are converted into multigroup form. The important things
to look at are the various counts in RECONR and the multigroup
values from GROUPR on the file "out01". To see even more detail,
check the PENDF file "pend01".
Problem 2: This is a demonstration of preparing a library for LMFBR
applications using methods active in the 80's. It is still useful
for check RECONR resonance reconstruction, Doppler broadening to
more than one temperature, the generation of unresolved resonance
data, and multigroup averaging with self shielding. The CCCC
output provides an alternative look at the cross sections and
group-to-group matrices. Pay attention to the output from RECONR
to see if the same number of resonance points are produced. Note
the number of points at each temperature and the thermal quantities
printed by BROADR. The unresolved self shielding shows up in the
UNRESR output and again in GROUPR and CCCCR. The multigroup
constants printed on "out02" provide plenty of opportunities to
check your installation. For even more detail, check the PENDF
file on "pend02".
Problem 3: This one demonstrates processing photoatomic data and the
use of MATXS output files. Newer versions of the photoatomic data
are all on one file, rather than the two shown here. Note that
two materials are processed to show the limiting behaviors. The
multigroup constants printed by GAMINR on "out03" can be checked.
Two different output formats are generated: the DTF format and
the MATXS format. The DTFR numbers are given on the listing, and
you can check the details of the MATXS results on "matxs03".
DTFR also generates Postscript plots of its results; you can
view them from "plot03" using ghostview or any Postscript printer.
Problem 4: This test problem computes cross section covariances
using the ERRORR module for U-235 from ENDF/B-V. The performance
of ERRORR can be tested by looking at the values on "out04".
Problem 5: This one demonstrates formatting covariance data using our
"boxer" format, and it generates detailed Postscript plots (in
color) of the variances and correlations. Look at "plot05" with
ghostview or a color Postscript printer.
Problem 6: This case demonstrates and tests some of the features of
the PLOTR and VIEWR modules. The output file is not very interesting,
and we don't provide it. Look at "plot06" using ghostview or a
Postscript printer.
Problem 7: This example demonstrates the production of a library for
the MCNP continuous-energy Monte Carlo code for Pu-238 from ENDF/B-IV.
Older versions of MCNP required a set of multigroup photon production
tables to construct the 30x20 grid of photon emission bins used in
those days. This problem demonstrates how that was done, but the
method is rarely needed these days. Still, these results provide
another useful set of tests for your installation. The most
interesting numbers are those in the ACER output on "out07". It
is difficult to use tools like "diff" to compare such outputs
unless the energy grids are exactly the same. Some of the changes
made to NJOY99 were designed to try to achieve identical energy
grids between different machines, and diff may work for you. If
not, you can still spot check the results. We provide both the
PENDF on "pend07" and the ACE file on "ace07" to allow for very
detailed checks.
Problem 8: This case was added to check the processing of a typical
ENDF/B-VI material using Reich-Moore resonances and File 6 for
energy-angle distributions. Pay special attention to the
resonance results as shown by the counts on the RECONR listing
and the values on the PENDF and ACE files (pend08 and ace08).
In addition, check the energy-angle distributions as printed out
by ACER on "out08".
Problem 9: This one demonstrates the use of LEAPR to generate a
scattering kernel for water. We have used the ENDF physics model,
but we reduced the alpha and beta ranges to make the case run
faster with less output. Note that RECONR and BROADR are run to
prepare a base for the thermal data at 296K. THERMR was run with
its long printout option to provide plenty of numbers on "out09"
for comparisons. For additional details, look at the actual
LEAPR output on "pend09".
Problem 10: This sample problem demonstrates the production of
unresolved resonance probability tables for MCNP. We run both
UNRESR and PURR using the same sigma0 grid to allow additional
checks of both modules and to allow for comparisons between the
deterministic and probabilistic approaches to computing Bondarenko
cross sections. We provide the output listing on "out10", the
PENDF file on "pend10", and the ACE file on "ace10". Lots of
results to check.
Problem 11: This one demonstrates the production of a library for
the WIMS reactor lattice code using Pu-238 from ENDF/B-IV. Check
both GROUPR output and WIMSR output on "out11". The WIMS library
file produced is provided on "wims11".
Problem 12: This one shows how the new gas production capability
works with Ni-61 from ENDF/B-VI. To see the detailed results for
gas production, look for MT=203 and 207 in File 3 of the PENDF
tape "pend12". Also, check out the color Postscript plots of
resonance cross sections and gas production cross sections
on "plot12".
Problem 13: This case demonstrates the new MCNP formats and ACE
plotting. These formats will be needed for MCNP4c and MCNPX.
Problem 14: This problem is to demonstrate ACE incident proton
data and the MCNPX charged-particle format.
For NJOY99, the test problems were run on a number of different
machine/compiler combinations, and the differences between the
resulting files are tallied. The result are given in the
following table:
1 Sun Solaris f77 with -g option running on an Ultra 60
2 SGI Origin 2000 f90 with -g
3 Windows 98 and Lahey LF95 with default optimization
4 Windows 98 and Absoft f90 with -g
5 Linux with g77 and -O optimization
6 Linux with Portland Group pgf77 with -g option
Number of different numbers found using diff:
file tested 1-2 1-3 1-4 1-5 5-6
--------------------------------------------------
out01 0 0 0 11 0
pend01 0 0 0 0 0
out02 0 0 0 97 23
pend02 0 0 0 0 0
out03 0 0 2 22 9
out04 0 0 0 0 0
out07 0 0 0 6 0
pend07 0 0 0 0 0
ace07 0 0 0 7 0
out08 0 0 0 38 0
pend08 0 0 0 7 0
out09 0 0 0 0 0
pend09 0 0 0 0 0
out11 3 1 1 11 3
wims11 5 6 6 8 0
pend12 0 0 0 2 0
out13 0 0 44 5 56
pend13 0 0 0 7 0
ace13 0 0 0 6 0
out14 6 0 63 0 81
ace14 5 0 0 0 15
--------------------------------------------------
Notes:
1. The large count in "1-5" for out02, out03, and out08
is for small Legendre components smaller than 1e-6
computed from differences. There seems to be a
small difference in the arithmetic between the Linux
machines and all the others. The "5-6" column
demonstrates that both Linux compilers show many of
the same differences.
2. The large difference in "1-4" and "5-6" for out13
and out14 seem to result from different behavior in
rounding numbers for printing. This is demonstrated
by having identical ace files.
Some interesting timing numbers for the test problems:
test Sun Ultra Pentium III Pentium III
no 360 MHz 450 MHz 500 MHz
f77 -g lf95 Linux g77 -O
-------------------------------------------------
01 65.6 16.2 20.2
02 45.7 18.6 20.8
03 14.3 6.8 7.3
04 4.4 2.5 3.5
05 39.3 20.8 27.6
07 29.3 12.5 16.4
08 46.8 23.5 23.9
09 36.3 16.1 22.0
10 52.2 15.9
11 104.3 28.3 32.5
12 8.9 6.1 6.5
13 37.0 22.9 31.1
14 27.1 9.9 22.1
------------------------------------------------