Available compilers

Please see full up to date listing of different toolchains and compilers from Applications-page. This page contains information on their usage.

GCC

Triton has the GCC set of compilers installed by default, but we recommend that you use the provided module versions. The GNU Compiler Collection (aka GCC) includes front ends for C, C+, Objective-C, Fortran, Java, Ada, and Go, as well as libraries for these languages (libstdc+, libgcj,…). In case of missing features, contact admins.

$ gcc -v

Using built-in specs.
COLLECT_GCC=gcc
COLLECT_LTO_WRAPPER=/share/apps/easybuild/software/GCCcore/5.4.0/libexec/gcc/x86_64-unknown-linux-gnu/5.4.0/lto-wrapper
Target: x86_64-unknown-linux-gnu
Configured with: ../configure --enable-languages=c,c++,fortran --enable-lto --enable-checking=release --disable-multilib --enable-shared=yes --enable-static=yes --enable-threads=posix --enable-gold=default --enable-plugins --enable-ld --with-plugin-ld=ld.gold --enable-bootstrap --prefix=/share/apps/easybuild/software/GCCcore/5.4.0 --with-local-prefix=/share/apps/easybuild/software/GCCcore/5.4.0
Thread model: posix
gcc-versio 5.4.0 (GCC)

Example usage:

$ gcc -lm -o my_code.c my_code  # compiling your C code and linking with Math lib
$ gfortran -O2 -o my_code  my_code.f90 # compiling your Fortran code with -O2 optimization level (see also g77 for Fortran 77)
$ g++ -O3 -funroll-loops -ffast-math -ftree-vectorize -mtune=native -o my_code  my_code.cpp # compiling your C++ code with aggressive optimizaton and architecture tuning

Thus GCC is the default compiler and is used to build most of the software in the cluster.

See man gcc, man gfortran and other mans for options. Online GCC Documentation.

GCC compiling examples

$ cat hello.c
#include
int main(void) {
  printf("Hello World!");
  return 0;
}
$ gcc hello.c -o hello

Compiling your own code

• Use gcc, g++, and gfortran compilers for compilation
• Use mpicc, mpic++, and mpif90 for MPI (= MVAPICH, MPICH2 or OpenMPI + GCC)
• Setup your environment with module load <toolchain> e.g. module load goolf/triton-2016b for BLAS/LAPACK, FFTW3, ScaLAPACK+BLACS, etc.. Modules will set CPATH and LD_LIBRARY_PATH variables for -I and -L, but you can use 'module show <module>' to see the exact library paths.

MPI-code “mpihello.c”:

#include
#include
int main (int argc, char **argv) {
  int rank, size;
  MPI_Init (&argc, &argv);
  printf( "Hello world\n");
  MPI_Finalize();
  return 0;
}

Compile MPI code:

module load goolf
mpicc mpihello.c -o mpihello

Optimization options for GCC

By default GCC/G++/GFortran do NOT perform any optimization; you must add appropriate optimization flags yourself. Experiment and see what works for your program!

• Basic optimization level: -O2
• More aggressive optimization, arch specific: -O3 -march=native
• Might, or might not help: -O3 -march=native -funroll-loops -ftree-loop-linear -fprefetch-loop-arrays

Might help a lot, but potentially dangerous: -ffast-math -mrecip

OpenMP with GCC: -fopenmp

Note that using -march=native will produce an arch specific code. Thus when compiled on Haswell, that code must be run on Haswell, otherwise expect segmentation fault errors on other architectures.

Intel Compilers

Intel Composer available through module provides full set of compilers C/C++/Fortran. In addition, it comes with MKL libraries, that works well in case you need LAPACK/BLAS functionality, as well as paralle version of them with ScaLAPACK and BLACS.

Example of linking for Intel Composer + MKL + OpenMPI

$ module load ioolf
$ mpif90 -o my.exe one.o two.o three.o libmpi_f90.a -lmkl_scalapack_lp64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core  -lmkl_blacs_openmpi_lp64 -Wl,--end-group -lpthread -lm