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Chapter 4. Program development 37
4.4 The NAG subroutine library
The NAG library is a comprehensive mathematical subroutine library
that has become a de facto standard in the field of numerical program-
ming. NAG routines are not parallelized on the T3E. The implemented
single PE version is Mark 17 (July 1998).
NAG routines cover several branches of numerical mathematics includ-
ing ordinary and partial differential equations, integral equations, inter-
polation, finding the extreme values and zeros of a function, statistical
analysis, and linear algebra.
Because of Cray’s precision conventions explained in the previous sec-
tion, all routines should use formally single precision (real) arithmetic,
which corresponds to double precision on most other computers. Thus
the names of the NAG routines should end in the letter E, e.g., F06ABE
instead of F06ABF.
The linear algebra subroutines in Chapter F07 of the NAG library as well
as the least-squares algorithms in Chapter F08 call LAPACK routines in
Cray’s Libsci.
A program containing calls to NAG routines is compiled with the option
-lnag, e.g.,
f90 -o prog prog.f90 -lnag
For a thorough introduction to the NAG library, it is necessary to browse
the manuals, if available at your local computer center. Alternatively,
you may read the file $DOC/nagdoc/essint where the essential princi-
ples are described.
If you are already familiar with NAG, you can try to decide which routine
to use by studying the file $DOC/nagdoc/summary. On the T3E, you can
find more information about NAG with the command
man nag_fl_un
These manual pages give mainly T3E dependent details. Files
$DOC/nagdoc/called
$DOC/nagdoc/calls
contain information about the calls between various NAG routines. The
most important features of Mark 17 are collected in the file
$DOC/nagdoc/news
See also the file $DOC/nagdoc/replaced if you are interested in the
differences between Mark 17 and previous releases.
There is a collection of almost 1000 example codes in the directory
$DOC/nag_examples/source/ with the associated data files in the di-
rectory $DOC/nag_examples/data/. The correct results are stored in
the directory $DOC/nag_examples/results/.
- Cray T3E 1
- User’s Guide 1
- Cray T3E User’s Guide 3 3
- Contents 4
- Contents 5 5
- B Glossary 113 6
- Bibliography 118 6
- Index 120 6
- Introduction 7
- 1.2 Usage policy 8
- 1.3 Overview of the system 9
- 1.4 Programming environment 9
- 10 Cray T3E User’s Guide 10
- Chapter 1. Introduction 11 11
- 12 Cray T3E User’s Guide 12
- Using the Cray T3E at CSC 13
- 2.2 Files 14
- 2.3 Editing files 16
- 2.5 Executing in batch mode 17
- 2.6 More information 18
- The Cray T3E system 20
- 3.2 Distributed memory 21
- 3.3 Processing elements 21
- 3.4 Processor architecture 23
- 3.5 Local memory hierarchy 24
- 26 Cray T3E User’s Guide 26
- Processing Element 27
- I/O Controller 27
- Interconnection 27
- Network 27
- 3.9 File systems 28
- 3.10 Resource monitoring 29
- 30 Cray T3E User’s Guide 30
- 3.11 More information 31
- Program development 32
- 4.3.1 BLAS 34
- 4.3.2 LAPACK 34
- 4.3.3 BLACS 35
- 4.3.4 PBLAS and ScaLAPACK 35
- 4.3.5 Details 35
- 36 Cray T3E User’s Guide 36
- 4.6 More information 38
- Fortran programming 40
- 5.2 Basic usage 41
- 5.4 Compiler options 42
- 5.5 Optimization options 42
- 5.6 Optimizing for cache 44
- 5.7 Compiler directives 45
- 5.8 Fortran 90 modules 48
- 5.9 Source code preprocessing 49
- 5.10 More information 51
- C and C++ programming 52
- 6.2 The C compiler 53
- 6.3 Calling Fortran from C 54
- 6.4 C compiler options 55
- #pragma _CRI symmetric var 59
- #pragma _CRI unroll [n] 59
- 6.6 The C++ compiler 61
- 6.7 More information 61
- Interprocess communication 62
- 7.2.1 Format of the MPI calls 63
- 7.2.2 Some MPI routines 64
- 7.2.3 An example of using MPI 64
- 7.2.5 MPI data types 67
- 7.3.1 Using PVM on the T3E 68
- #include <mpp/shmem.h> 71
- INCLUDE ’mpp/shmem.fh’ 71
- 7.4.2 Data addresses 72
- 7.4.4 Reduction routines 74
- 7.4.6 Example of using SHMEM 76
- 78 Cray T3E User’s Guide 78
- 0:c= 10121416 78
- 1:c= 2468 78
- 80 Cray T3E User’s Guide 80
- Batch queuing system 81
- 82 Cray T3E User’s Guide 82
- # QSUB -l p_mpp_t=7000 82
- 8.3 Status of the NQE job 83
- 84 Cray T3E User’s Guide 84
- 8.4 Deleting an NQE batch job 86
- 8.5 Queues 86
- 8.6 More information 87
- Programming tools 88
- 9.2 Program Browser 89
- 9.3 Debugging programs 92
- 9.3.2 Examining core files 93
- 94 Cray T3E User’s Guide 94
- 9.4.1 MPP Apprentice 95
- 9.4.2 The appview command 98
- 9.4.3 PAT 98
- 9.5.1 The VAMPIRtrace library 100
- 102
- 9.5.3 More information 103
- Miscellaneous notes 104
- 10.1.3 The CPU clock timer 105
- 10.1.4 Example of timing 106
- 108 Cray T3E User’s Guide 108
- 10.4 More information 110
- About CSC 111
- 112 Cray T3E User’s Guide 112
- Glossary 113
- 114 Cray T3E User’s Guide 114
- Appendix B. Glossary 115 115
- Metacomputer Environment 116
- Bibliography 118
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