| Both sides previous revision
Previous revision
Next revision
|
Previous revision
|
compiling [2021/02/26 20:34]
root |
compiling [2021/03/05 14:58] (current)
root |
| Versions 7.3.1, 8.3.1, 9.3.1 are RedHat devtools distributions with debugger,eclipse,etc. | Versions 7.3.1, 8.3.1, 9.3.1 are RedHat devtools distributions with debugger,eclipse,etc. |
| |
| Version 8.4.0 is a gcc/g++/gfortran distribution compiled by us. It is less complete than the devtools distributin. It is most useful as a runtime module for a program (particularly anaconda) that needs a reasonably up-to-date libstdc++.so.6, which is not updated in devtools and can be a problem when called by a library with newer CXXABI. | Version 8.4.0 is a gcc/g++/gfortran distribution compiled by us. It is just the compiler and is less complete than the devtools distribution. It is most useful as a runtime module for a program (particularly anaconda) that needs a reasonably up-to-date libstdc++.so.6, which is not updated in devtools and can be a problem when linked by a library asking for newer CXXABI. |
| |
| ==Gnu7,Gnu8== | ==Gnu7,Gnu8== |
| OpenHPC versions of gnu compilers. gnu7/7.3.0, gnu8/8.3.0. These are prerequisites to OHPC MPI and do have updated libstdc++.so.6. | OpenHPC versions of gnu compilers. gnu7/7.3.0, gnu8/8.3.0. These are prerequisites to OHPC MPI and do have updated libstdc++.so.6. We only have the application program rpms installed for gnu8. Applications dependent on the compiler are gsl,hdf5,metis,openblas,plasma, and scotch. Applications dependent on compiler and MPI are boost,hypre,mfem,mumps,netcdf-cxx,netcdf-fortran,omb,opencoarrays, |
| | petsc,phdf5,pnetcdf,ptscotch,mpi4py,scalapack,slepc,superlu, and trilinos. |
| |
| ==Intel== | ==Intel== |
| (all intel compilers,icc/icpc/ifort) intel/14.0.3, 16.0.1, 17.0.4, 17.0.7, 18.0.1, 18.0.2, 19.0.4 , 19.0.5, 20.0.1, 20.0.4 | (all intel compilers,icc/icpc/ifort) intel/14.0.3, 16.0.1, 17.0.4, 17.0.7, 18.0.1, 18.0.2, 19.0.4 , 19.0.5, 20.0.1, 20.0.4 |
| Multiple versions are mostly for backwards compatibility. With modern Intel hardware, the latest Intel compiler is usually recommended. We recommend 14.0.3 for trestles AMD Bulldozer nodes and 19.0.5 for Pinnacle AMD nodes. | Multiple versions are mostly for backwards compatibility. With modern Intel hardware, the latest Intel compiler is usually recommended. We recommend 14.0.3 for trestles AMD Bulldozer nodes and 19.0.5 for Pinnacle AMD Epyc nodes. |
| |
| ==PGI== | ==PGI== |
| (pgcc,pgc++,pgf95) PGI/2016, 2016.5, 2017, 18.4, 18.10, 19.4 | (pgcc,pgc++,pgf95) PGI/2016, 2016.5, 2017, 18.4, 18.10, 19.4. Superseded by NVidia HPC SDK. |
| | |
| | |
| | ==NVidia== |
| | nvhpc/20.7, the HPC SDK, loads the LLVM-based Cuda compiler (nvcc) as well as Cuda libraries, PGI-based compilers (pgcc,pgc++,pgf95) and an OpenMPI-based mpi with PGI (mpicc,mpic++,mpif90) |
| | cuda/5.5 through 11.1 loads nvcc and Cuda libraries. |
| |
| ==Oracle== | ==Oracle== |
| (suncc,sunCC,sunf95) sunstudio/12.6 | sunstudio/12.6 loads (suncc,sunCC,sunf95) |
| |
| ==Clang== | ==Clang== |
| clang 3.4.2-9 is the base version installed by rpm. | clang 3.4.2-9 is the older base version installed by rpm. |
| clang/5.0.1 is the devtoolset-7 version. | clang/5.0.1 (clang,clang++,no flang) is the devtoolset-7 version. |
| | |
| | ==AMD== |
| | aocc/2.3.0 is AMD's LLVM-based compiler (clang,clang++,flang) |
| |
| ===MPI Modules=== | ===MPI Modules=== |
| ==Commercial== | ==Commercial== |
| modules impi/5.0.0, 5.1.1, 5.1.2, 17.0.4, 17.0.7, 18.0.1, 18.0.2, 19.0.4, 19.0.5, 20.0.1, 20.0.4 | modules impi/5.0.0, 5.1.1, 5.1.2, 17.0.4, 17.0.7, 18.0.1, 18.0.2, 19.0.4, 19.0.5, 20.0.1, 20.0.4 |
| module platform_mpi/9.1.2 | and platform_mpi/9.1.2 are available and have a prerequisite of a gcc or intel compiler. |
| are available and have a prerequisite of a gcc or intel compiler. | |
| |
| ==NVidia HPCx== | ==NVidia HPCx== |
| are available and have a prerequisite of a gcc compiler. | are available and have a prerequisite of a gcc compiler. |
| |
| ===Notes=== | ==Notes.1== |
| The AHPCC version of impi and the OpenHPC version behave differently. AHPCC follows the Intel default for IMPI with Intel compiler in that "mpiicc,mpiifort,mpiicpc" call Intel compilers, while "mpicc,mpif90,mpic++" call GNU compilers. In OpenHPC both commands call Intel compilers. This can give very different results in a script. | The AHPCC version of IMPI and the OpenHPC version behave differently. AHPCC follows the Intel installation default for IMPI with Intel compiler in that "mpiicc,mpiicpc,mpiifort" call Intel compilers, while "mpicc,mpic++,mpif90" call GNU compilers. In OpenHPC both commands call Intel compilers. This can give very different results in a script. (In OpenMPI/MVAPICH2, only "mpicc,mpic++,mpif90" are defined and they call the compiler loaded before MPI). |
| <code> | <code> |
| $ module reset;module load intel/19.0.5 intel/impi/2019.9.304 | $ module reset;module load intel/19.0.5 intel/impi/2019.9.304 |
| </code> | </code> |
| |
| | ==Notes.2== |
| | The Intel icpc compiler uses header files from the GNU compiler, so the default will be the old header files from the 4.8.5 compiler. It is common for c++ codes such as LAMMPS to expect modern header files. If using icpc for its performance benefits, a newer gcc compiler should be loaded (last, which in module terms means first in the search paths). The MPI modules expect exactly one compiler to be preloaded, so the order is significant. This will load Intel icpc and modern header files: |
| | <code> |
| | module load intel/19.0.5 mvapich2/2.3.2 gcc/9.3.1 |
| | </code> |
| | At the time of the MPI module loading, the compiler is defined as intel so the intel version of mvapich2 is loaded. |
| | |
| | ==Notes.3== |
| | In a reversal of the previous case, you may find that Intel OpenMP libraries are needed with GNU, especially if the Intel MKL libraries and threaded functions are called. In a pure gcc compilation, the GNU OpenMP library libgomp should suffice and be automatically loaded in an OpenMP program. But Intel libirc and libiomp5 may be needed, especially if called by MKL, and are only supplied by the Intel compilers. A module command similar to this may be necessary for the system to find the libraries: |
| | <code> |
| | mnodule load gcc/8.3.1 openmpi/4.1.0 mkl/19.0.5 intel/19.0.5 |
| | </code> |
