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Major update to the hosted LLVM compiler collections

Major update to the hosted LLVM compiler collections

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The Discoverer’s software repository received a major update to the hosted LLVM compiler collections. Versions 16.0.0-16.0.6 and 17.0.0-17.0.6 are available and the LLVMgold plugin is included in all bundles. We thoroughly examined the hosted LLVM compiler collections by employing the clang and clang++ compilers to compile C and C++ code projects like GROMACS and NAMD. Despite the absence of significant issues with the compilation of C and C++ code, it is expected that the compilation of Fortran code using flang…

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The Discoverer bids farewell to the era-old Intel compilers

The Discoverer bids farewell to the era-old Intel compilers

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The latest version of Intel oneAPI – 2024.0.0 – is now available in Discoverers open-source software repository. One big change in the new version is that the classic Intel compilers are no longer available. As of version 2024.0, they have been excluded from the bundle. The users have to load one of the available pre-2024.0 versions if they need access to any of the classic compilers. The old versions of Intel oneAPI (≤2023.2) that include the classic compilers will remain…

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Discoverer is LLVM-ready

Discoverer is LLVM-ready

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We’ve been examining the deployment of LLVM compiler infrastructure in high-performance computing for more than a year. LLVM compilers provide novel and significantly more optimal and reliable schemas for the generation of binary code. More and more source code distributions come with LLVM-compatible CMake configurations. GROMACS is one of them. The Python universe of applications also actively adopts LLVM for HPC. Numba is one of those applications. It serves as a foundation for the development of bindings for the creation of…

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ABINIT 9.8.2 on Discoverer HPC

ABINIT 9.8.2 on Discoverer HPC

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ABINIT is a powerful package for calculating a variety of optical, mechanical, vibrational, and other observable properties of materials. It is written in Fortran 95 and supports distributed parallelization model based on MPI library. This post is about how ABINIT 9.8.2 code can be compiled for high productivity on Discoverer HPC. The compilation of ABINIT code relies on the presence of a number of external auxiliary libraries, which have to be installed on the build host in advance. Most important…

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Intel retire their C/C++ classic compiler in mid 2023

Intel retire their C/C++ classic compiler in mid 2023

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Intel® C++ Compiler Classic (icc) is deprecated and will be removed in a oneAPI release in the second half of 2023. Intel recommends that customers transition now to using the LLVM-based Intel® oneAPI DPC++/C++ Compiler (icx) for continued Windows* and Linux* support, new language support, new language features, and optimizations. https://community.intel.com/t5/Intel-oneAPI-IoT-Toolkit/DEPRECATION-NOTICE-Intel-C-Compiler-Classic/m-p/1412267 What that means for the users of Discoverer HPC who need to compile their C and C++ code by using Intel® C/C++/Fortran compiler? The classic compilers icc, icpc, ifort…

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LLVM 15.0.0 is out (and installed on Discoverer HPC)

LLVM 15.0.0 is out (and installed on Discoverer HPC)

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The new 15.0.0 version of LLVM compiler infrastructure is out. The source code as well as a set of precompiled binaries are available for download at Github: https://github.com/llvm/llvm-project/releases/tag/llvmorg-15.0.0 Discoverer HPC users now have access to the LLVM 15.0.0 installation available in the software repository. By loading the environment module llvm/15/15.0.0-gcc: module load llvm/15/15.0.0-gcc the users obtain access to the LLVM compiler infrastructure. The suffix “gcc” in the module name specifies the compiler set employed for compiling the source code of…

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Which FFTW3 build to use on Discoverer

Which FFTW3 build to use on Discoverer

FFTW3 is an important library package that provides large number of HPC applications with a collection of external subroutines for computing the discrete Fourier transform (DFT) in one or more dimensions. In HPC environment it is a common case to have several different builds of FFTW3 available to support the variety of installed MPI libraries, threads libraries, and common models for application code building, linking, and executing. But in spite how many such builds are presented locally, the most compatible…

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LLVM 14

LLVM 14

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LLVM project released version 14.0.6 of their source code. Immediately after that the LLVM compiler infrastructure was compiled and installed in the Discoverer HPC software repository (made available to all HPC users). It is worth mentioning here the way the source code was compiled, since the details of that process reflect the good practice in compiling for AMD Zen2 CPU. The compile recipe is publicly available at: https://gitlab.discoverer.bg/vkolev/recipes/-/tree/main/llvm/ In the recipe, it is better to employ GCC 11 compilers than…

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WRF 4.4 as service

WRF 4.4 as service

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Many governmental and non-governmental organizations, as well as a number of businesses (like wind farms), rely on precise local weather forecast. Weather Research and Forecast model (WRF) is the most popular and well developed software set of tools for generating such type of weather forcasts. It is freely distributed as a programming (source) code, large part of which is written in Fortran programming language. It is expected that the potential WRF users should download, compile, and running the WRF tools…

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