From d41c3996896c2621b27cc4f4c4a9c502c6d9f65c Mon Sep 17 00:00:00 2001 From: Paul Kent Date: Mon, 16 Dec 2024 17:12:45 -0500 Subject: [PATCH 1/2] Update versions --- README.md | 26 +++++++++++++++----------- 1 file changed, 15 insertions(+), 11 deletions(-) diff --git a/README.md b/README.md index 91c036186a..e4d2d863ab 100644 --- a/README.md +++ b/README.md @@ -65,20 +65,24 @@ library versions is particularly encouraged for highest performance and easiest Nightly testing currently includes at least the following software versions: * Compilers - * GCC 13.2.0, 11.4.0 - * Clang/LLVM 17.0.4 -* Boost 1.83.0, 1.77.0 -* HDF5 1.14.3 -* FFTW 3.3.10, 3.3.8 -* CMake 3.27.9, 3.21.4 + * GCC 14.2.0, 12.4.0 + * Clang/LLVM 19.1.4 +* Boost 1.86.0, 1.79.0 +* HDF5 1.14.5 +* FFTW 3.3.10 +* CMake 3.30.5 * MPI - * OpenMPI 4.1.6 -* CUDA 12.3 + * OpenMPI 5.0.5 +* CUDA 12.4 +* ROCm 6.3.0 -GitHub Actions-based tests include additional version combinations from within our two year support window. On a developmental basis -we also check the latest Clang and GCC development versions, AMD Clang and Intel OneAPI compilers. +For GPU acceleration on NVIDIA GPUs we test LLVM with CUDA using the above versions. On AMD GPUs we support using the latest ROCm +version and its matching amdclang compiler, as listed above. On a developmental basis we also check the latest Clang and GCC +development versions, and Intel OneAPI compilers. -Workflow tests are currently performed with Quantum Espresso v7.2.0 and PySCF v2.2.0. These check trial wavefunction generation and +GitHub Actions-based tests include additional version combinations from within our two year support window. + +Workflow tests are currently performed with Quantum Espresso v7.4.0 and PySCF v2.7.0. These check trial wavefunction generation and conversion through to actual QMC runs. # Building with CMake From 866e3e20603185bec29fb96b48099096418e8b58 Mon Sep 17 00:00:00 2001 From: Ye Luo Date: Thu, 19 Dec 2024 13:07:31 -0600 Subject: [PATCH 2/2] Update README.md --- README.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.md b/README.md index e4d2d863ab..c65a6ec420 100644 --- a/README.md +++ b/README.md @@ -82,7 +82,7 @@ development versions, and Intel OneAPI compilers. GitHub Actions-based tests include additional version combinations from within our two year support window. -Workflow tests are currently performed with Quantum Espresso v7.4.0 and PySCF v2.7.0. These check trial wavefunction generation and +Workflow tests are currently performed with Quantum ESPRESSO v7.4.0 and PySCF v2.7.0. These check trial wavefunction generation and conversion through to actual QMC runs. # Building with CMake