Compilers and Libraries

Describes how to use the compiler and libraries on a Large-Scale Parallel Computing Server.

Compiler

Following compilers are available on the supercomputer.

Compiler Version Notes
Cray Compiler Fortran/C/C++ 8.7.10
8.6.5 		default: 8.6.5
Intel Compiler Fortran/C/C++ 19.1.3.304
19.1.0.166
19.0.2.187
18.0.2.199
17.0.4.196 		default: 18.0.2.199
PGI Compiler Fortran/C/C++ 19.1-0
18.5-0 		default: 19.1-0
GNU Compiler Fortran/C/C++ 4.9.3
5.3.0
6.1.0
7.3.0
8.3.0 		default: 7.3.0

Programming environment


Command
The command names of the Fortran, C, C ++ compiler are unified to ftn, cc, and CC.
The compiler called by the command will switch automatically by switching the programming environment.

Compiler Command Cray Compiler Intel Compiler PGI Compiler gnu compiler
Fortran ftn crayftn ifort pgf90 gfortran
C cc craycc icc pgcc gcc
C++ CC crayCC icpc pgc++ g++

Important

Use ftn, cc, CC command in the case compiling MPI programs.
MPI libraries are linked automatically.


Switching programming environment
The module files is as follows.

Cray compiler Intel compiler PGI compiler gnu compiler
PrgEnv-cray PrgEnv-Intel PrgEnv-pgi PrgEnv-gnu

Switch the programming environment with the module switch command.
PrgEnv-cray is default.
To switch to the Intel compiler, execute as follows. 

$ module switch PrgEnv-cray PrgEnv-intel


Common options
The following options are common to all programming environments.

Option Description
-craype-verbose Display set options.
-static Set static linking.
-dynamic Set dynamic linking.
-shared Make shared library.
-help Display available options in the loaded programming environment.

Cray Compiler


Setting of program environment
Cray compiler is the default one on super.
If you want to change the compiling environment to other, execute a following command.

・Example change to the environment of Intel compiler. 

$ module switch PrgEnv-intel PrgEnv-cray


If you want to change the compiler version, execute a following command.

・Example change the compiler version 

$ module avail cce
cce/8.6.5(default)
cce/8.7.10
$ module switch cce cce/8.7.10


Compile Options

・Optimization Options

Option Description
-o outfile Set output file. If ‘-o’ option is not specified, the default output file is a.out.
-llibrary_name Specify libraries to be linked.
-Llibrary_path Specify paths to be searched for the libraries.
-h autothread Enables auto threading (default: disabled)
-h omp/noomp Enable / disables OpenMP directives. (default: enabled)
-h thread[0-3] Specify optimization level of OpenMP (3:Full optimization, default is 2)
-O [0-3] Specify automatic threading level. (3:Highest level, default is 2)
-h ipa[0-5] Specify the level of interprocedural optimization.


・Options for Fortran

Option Description
-e0 Initialize undefined local stack variables to 0.
-ev Assign variables to stack (There are exceptions.)
-ez Initialize the memory allocated by allocate() statements to zero.
-f [free|fixed] Set the format of source files.


・Options for C

Option Description
-h c99 Compile with C99 standard manner.
-h noc99 Compile without C99 standard manner.
-h zero Initialize undefined local stack variables to 0.


・Debugging options

Option Description
-g Output debugging information.
-G [0-2] Manage debugging information. (0: Most detailed. -G0=-g）
-K trap=… Trap exception handling. [fp | divz | denorm | ... ]


Example

・Make the execution module ’hello.out’ from the Fortran source file ’hello.f.’ in fixed form. 

$ ftn -f fixed -o hello.out hello.f


・Make the execution module ’hello.out’ from the Fortran source file ‘hello.f90’ in free form. 

$ ftn -f free -o hello.out hello.f90


・Make the execution module 'hello.out' auto-threaded from the Fortran source file 'hello.f' in fixed form. 

$ ftn -h autothread -f fixed -o hello.out hello.f


・Make the execution module 'hello.out' auto-threaded from the Fortran source file 'hello.f90' in free form. 

$ ftn -h autothread -f free -o hello.out hello.f90


・Make the execution module 'hello.out' from the C source file 'hello.c'. 

$ cc hello.c -o hello.out


・Make the execution module 'hello.out' auto-threaded from the C source file 'hello.c'. 

$ cc -h autothread hello.c -o hello.out


・Make the execution module 'hello.out' from the C++ source file 'hello.cpp'. 

$ CC hello.cpp -o hello.out


・Make the execution module 'hello.out' auto-threaded from the C++ source file 'hello.cpp'. 

$ CC -h autothread hello.cpp -o hello.out

Intel Compiler


Setting of program environment
Change the program environment by the following line, because Cray compiler is default on super.

・Example change to the environment of Intel compiler. 

$ module switch PrgEnv-cray PrgEnv-intel


If you want to change the compiler version, execute a following command.

・Example change the compiler version 

$ module avail intel
intel/17.0.4.196
intel/18.0.2.199(default)
intel/19.0.2.187
intel/19.1.0.166

$ module switch intel intel/19.0.2.187


Compile Options

・Optimization options and others

Option Description
-o outfile Set output file. If ‘-o’ option is not specified, the default output file is a.out.
-llibrary_name Specify libraries to be linked.
-Llibrary_path Specify paths to be searched for the libraries.
-O0|-O1|-O2|-O3 Set optimizing options. -O2 is default.
-fast Set the whole program execution speed maximum. The following options are set automatically.
-ipo、-O3、-no-prec-div、-static、-fp-model fast=2、-xHost
-parallel Compile the input source file enabling auto-threading.
-openmp Compile the input source file enabling OpenMP.


・Options for Fortran

Option Description
-free|-fixed Set the format of source files.


・Debugging Options

Option Description
-g Output debugging information.
-traceback Output traceback when an error occurs.
-fpe[0-3] Trap exception handling. (-fpe0 is most detailed)


Example

・Make the execution module 'hello.out' from Fortran source file 'hello.f' in fixed form. 

$ ftn -fixed -o hello.out hello.f


・Make the execution module ’hello.out’ from the Fortran source file ‘hello.f90’ in free form. 

$ ftn -free -o hello.out hello.f90


・Make the execution module 'hello.out' auto-threaded from the Fortran source file 'hello.f' in free form. 

$ ftn -fixed -parallel -o hello.out hello.f


・Make the execution module 'hello.out' auto-threaded from the Fortran source file 'hello.f90' in free form. 

$ ftn -free -parallel -o hello.out hello.f90


・Make the execution module 'hello.out' from C source file 'hello.c'. 

$ cc -o hello.out hello.c


・Make the execution module 'hello.out' auto-threaded from C source file 'hello.c'. 

$ cc -parallel -o hello.out hello.c


・Make the execution module 'hello.out' from the C++ source file 'hello.cpp'. 

$ CC -o hello.out hello.cpp


・Make the execution module 'hello.out' auto-threaded from the C++ source file 'hello.cpp'. 

$ CC -parallel -o hello.out hello.cpp

PGI Compiler


Setting of program environment
Change the environment by the following line, because Cray compiler is default on super.

・Example change from environment of Cray compiler 

$ module switch PrgEnv-cray PrgEnv-pgi


If you want to change the compiler version, execute a following command.

・Example change the compiler version 

$ module avail pgi
pgi/18.5
pgi/19.1(default)

$ module switch pgi pgi/18.5


Compile Options

・Optimization Options and Others

Option Description
-o outfile Set output file. If ‘-o’ option is not specified, the default output file is a.out.
-llibrary_name Specify libraries to be linked.
-Llibrary_path Specify paths to be searched for the libraries.
-O0|-O1|-O2|-O3|-O4 Set optimizing options. -O2 is default.
-fast Enable general optimization flag.
-Mconcur Compile the input source file enabling auto threading.
-mp Compile the input source file enabling OpenMP.


・Option for Fortran

Option Description
-Mfree|-Mfixed Set Specify program format of free or fixed.


・Debugging options

Option Description
-g|-gopt Output debugging information.


Example

・make the execution module 'hello.out' from the Fortran source file 'hello.f' in fixed form. 

$ ftn -Mfixed -o hello.out hello.f


・make the execution module 'hello.out' which is autothreaded from the Fortran source file 'hello.f' in fixed form. 

$ ftn -Mfixed -Mconcur -o hello.out hello.f


・make the execution module 'hello.out' using OpenMP from the Fortran source file 'hello.f' in fixed form. 

$ ftn -mp -Mfixed -o hello.out hello.f


・Make the execution module ’hello.out’ from the Fortran source file ‘hello.f90’ in free form. 

$ ftn -Mfree -o hello.out hello.f90


・Make the execution module 'hello.out' auto threaded from the Fortran source file 'hello.f90' in free form. 

$ ftn -Mfree -Mconcur -o hello.out hello.f90


・Make the execution module 'hello.out' using OpenMP from the Fortran source file 'hello.f90' in free form. 

$ ftn -mp -Mfree -o hello.out hello.f90


・Make the execution module 'hello.out' from C source file 'hello.c'. 

$ cc -o hello.out hello.c


・Make the execution module 'hello.out' which is auto-threaded from C source file 'hello.c'. 

$ cc -Mconcur -o hello.out hello.c


・Make the execution module 'hello.out' using OpenMP from C source file 'hello.c'. 

$ cc -mp -o hello.out hello.c


・Make the execution module 'hello.out' from the C++ source file 'hello.cpp' 

$ CC -o hello.out hello.cpp


・Make the execution module 'hello.out' auto threaded from the C++ source file 'hello.cpp'. 

$ CC -Mconcur -o hello.out hello.cpp


・Make the execution module 'hello.out' using OpenMP from the C++ source file 'hello.cpp'. 

$ CC -mp -o hello.out hello.cpp

GNU Compiler


Setting of program environment
Change the program environment by the following line, because Cray compiler is default on super.

・Example change to the environment of Intel compiler. 

$ module switch PrgEnv-cray PrgEnv-gnu


If you want to change the compiler version, execute a following command.

・Example change the compiler version 

$ module avail gcc
gcc/4.9.3
gcc/5.3.0
gcc/6.1.0
gcc/7.3.0(default)
gcc/8.3.0

$ module switch gcc gcc/8.3.0


Compile Options

・Optimization options and others

Option Description
-o outfile Set output file. If ‘-o’ option is not specified, the default output file is a.out.
-llibrary_name Specify libraries to be linked.
-Llibrary_path Specify paths to be searched for the libraries.
-O0|-O1|-O2|-O3|-O4 Set optimizing options. -O2 is default.
-fopenmp Compile the input source file enabling OpenMP.


・Options for Fortran

Option Description
-ffree-form|-ffixed-form Set the format of source files.


・Debugging options

Option Description
-g Output debugging information.
-g0|-g1|-g2|-g3 Manage debugging information.(-g2 = -g)


Example

・Make the execution module 'hello.out' from Fortran source file 'hello.f' in fixed form. 

$ ftn -ffixed-form -o hello.out hello.f


・Make the execution module ’hello.out’ from the Fortran source file ‘hello.f90’ in free form. 

$ ftn -ffree-form -o hello.out hello.f90


・Make the execution module 'hello.out' from C source file 'hello.c'. 

$ cc -o hello.out hello.c


・Make the execution module 'hello.out' from the C++ source file 'hello.cpp'. 

$ CC -o hello.out hello.cpp


Libraries

Following libraries are available for compiling and linking.

Library Version Compiler
CSML(Cray Scientific and Math Libraries) 19.05.5
18.03.1 		all compilers
Intel MKL (Intel Math Kernel Library) 19.1.3.304
19.1.0.166
19.0.2.187
18.0.2.199
17.0.4.196 		Intel compiler
Third Party Products - all compilers

CSML(Cray Scientific and Math Libraries)


CSML (Cray Scientific and Math Libraries) is a set of libraries provide by Cray.
Following libraries are available.

Library Description Included libraries Module Option
Cray LibSci Scientific library optimized for XC50 system
Default 		BLAS,
LAPACK,
BLACS,
ScaLAPCK,
IRT, etc 		cray-libsci
Cray PETSc(Portable, Extensible Toolkit for Scientific Computation) Linear / nonlinear equation parallel solver library MUMPS,
SuperLU,
SuperLU_dist,
ParMETIS,
HYPRE, etc 		cray-petsc
Cray Trilinos Packages Object-oriented interface of scientific library
Load cray-petsc in advance. 		PETSc,
Metis/ParMetis,
SuperLU,
Aztec,
BLAS,
LAPACK 		cray-trilinos
TPSL(Third Party Scientific Libraries) Math library available with PETSc/Trilinos MUMPS,
Super_LU,
Super_LU_dist,
ParMetis,
Hypre,
Sumdials,
Scotch, etc		cray-tpsl
FFTW3.3 Library FFTW version 3.3 FFTW3.3 cray-fftw -lfftw3
(MPI parallel)
-lfftw3_mpi
(thread parallel)
-lfftw3_threads
FFTW2.1 Library FFTW version2.1
Library name depends on single precision and double precision.		FFTW2.1 fftw (single precision)
-lsrfftw_mpi
-lsfftw_mpi
-lsrfftw
-lsfftw
(double precision)
-ldrfftw_mpi
-ldfftw_mpi
-ldrfftw
-ldfftw


Setting of program environment
Change the program environment by the following line, because Cray compiler is default on super.

・Example change to environment of Intel compiler. 

$ module switch PrgEnv-cray PrgEnv-intel


Example

・ex1： Using FFTW 3.3 Library from MPI parallel program with Cray compiler 

$ module load cray-fftw
$ cc main.c -L${FFTW_DIR} -lfftw3_mpi -lfftw3


・ex2： Using FFTW 3.3 Library from MPI and thread parallel program with Intel compiler 

$ module switch PrgEnv-cray PrgEnv-intel
$ module load cray-fftw 
$ cc -qopenmp main.c -L${FFTW_DIR} -lfftw3_mpi -lfftw3_threads -lfftw3


・ex3： Using FFTW 2.1 Library with single precision 

$ module load fftw
$ cc main.c -lsrfftw_mpi -lsfftw_mpi -lsrfftw -lsfftw


・ex4： Using FFTW 2.1 Library with double precision 

$ module load fftw
$ cc main.c -ldrfftw_mpi -ldfftw_mpi -ldrfftw -ldfftw

Intel MKL


Intel MKL (Intel Math Kernel Library) contains BLAS, LAPACK, SparseBLAS, PARDISO, Iterative Sparse Solver, FFT, random number generation and so on.

Setting of program environment
In order to use Intel MKL, it is necessary to load the Intel program environment(PrgEnv-intel) and unload the Cray-libsci to avoid contention.
・Example change from environment of Intel compiler. 

$ module switch PrgEnv-cray PrgEnv-intel
$ module unload cray-libsci


Example

・Make the execution module 'hello.out' from the Fortran source file 'hello.f' using BLAS in fixed form. 

$ ftn -mkl -o hello.out -fixed hello.f


・Make the execution module 'hello.out' from C source file 'hello.c' using BLAS. 

$ cc -mkl -o hello.out hello.c

Third Party Products


The following libraries are available.

Library Module Note
NetCDF(Unidata’s Network Common Data Format) Library cray-netcdf serial version
cray-parallel-netcdf parallel version
HDF5(Hierarchical Data Format 5) Libraries & Utilities cray-hdf5 serial version
cray-hdf5-parallel parallel version


  • user_manual/supercomputer/compilers_libraries.txt
  • Last modified: 2023/04/11 05:26
  • (external edit)