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Compilers and MPI software
Compilers
All main-campus and VIMS clusters have Intel and GNU compiler toolchains installed. As of our recent refresh to Rocky Linux 9, here are the available compilers:
| Name | module | suggested optimization flags | release date | executable names (C,C++,Fortran) | information |
|---|---|---|---|---|---|
| Intel oneAPI DPC++/C++ Compiler /Fortran | intel/compiler-2024.0 | -O3 -xHost | 12/13/2023 |
icx,icpx,ifx ** ifort is available but will warn you to switch to ifx |
- C/C++/DPC++ docs for current and previous versions. - Fortran docs for current and previous versions. NOTE: the -ip flag is not supported for ifx |
| Intel oneAPI DPC++/C++ Compiler /Fortran | intel/compiler-2022.2.1 | -O3 -xHost | 10/20/2022 |
icx,icpx,ifort ** icc and icpc are available but will warn you to switch to icx,icpx |
|
| GNU Compiler suite (C++/C/Fortran) | N/A - defautl gcc on all refreshed systems | -O3 -march=native | 06/25/23 | gcc,g++,gfortran | - GNU compiler documentation |
As needed, older versions of compilers may be installed, however, we strongly encourage users to try working with the latest versions of Intel OneAPI and/or Gnu compilers listed above. We encourage users to read the man pages for the compiler tools they need more information about: e.g.:
>> man ifx
Use the following links to understand what has changed between older version of the compilers and the current versions:
Intel and GNU compiler flags with descriptions
| Intel flag | GNU flag | description | notes |
|---|---|---|---|
| -O0,-O1,-O2,-O3,-Ofast | level of optimization to try (from none to most aggressive) | -On can result in other flags being used. Please read the man page to see which other flags are added for each level of optmization | |
| -fast | N/A | A combination of -Ofast, -ipo, -static (for static linking), and -xHost. | Very aggressive optmization ; be sure you are getting correct results |
| -qopenmp | -fopenmp | enable OpenMP | |
| -fp-model <level> | -ffast-math | tunes floating-point accuracy |
for Intel, level can be strict, precise, or fast for GNU -ffast-math takes no arguments |
| -ipo | N/A | enable inter procedural optmization | |
| -xHost | -march=native | tune compilation for local processor | |
MPI software
The HPC clusters at main-campus and VIMS have both IntelMPI and OpenMPI. We typically compile other parallel software using one or both flavors.
| name | module | release date | wrapper scripts | notes |
|---|---|---|---|---|
| Intel MPI toolkit | intel/mpi-2021.11 |
06/05/2023 |
mpiicx, mpiicpx,mpiifx mpicc,mpicxx, mpif90 |
mpiicx, mpiicpx,mpiifx - uses Intel Compiler with Intel MPI mpicc,mpicxx, mpif90 - uses GNU compiler with Intel MPI |
| OpenMPI-4.1.6. compiled with Intel-2024.0 | openmpi-ib/intel-2024.0/4.1.6 | 9/30/2023 | mpicc, mpicxx, mpif90 | |
| OpenMPI-4.1.6 compiled with GNU 11.4.1 | openmpi-ib/gcc-11.4.1/4.1.6 |
Running MPI jobs in the cluster
All clusters run the batch system. We encourage using srun (see the RC SLURM users guide) instead of mpirun, mpiexec to launch MPI jobs.