diff --git a/karolina-changelog.md b/karolina-changelog.md index 13de8a8bad9655dd396f1fcd0f725f7bee908a24..c946ccdda75bffb4337549e16cfb238d5fe1bc79 100644 --- a/karolina-changelog.md +++ b/karolina-changelog.md @@ -4409,1077 +4409,4 @@ * remove tcsh/6.24.01-GCCcore-11.3.0,1 * remove TensorFlow/2.10.1-foss-2022a-CUDA-11.7.0,1 * remove TensorFlow/2.11.0-foss-2022a,1 - * remove TensorFlow/2.11.0-foss-2022a-CUDA-11.7.0,1 - * remove TensorFlow/2.4.1-foss-2020b,1 - * remove TensorFlow/2.8.4-foss-2021b,1 - * remove TensorFlow/2.8.4-foss-2021b-CUDA-11.4.1,1 - * remove texinfo/6.7-GCCcore-10.2.0,1 - * remove texinfo/7.0.2-GCCcore-12.2.0,1 - * remove texlive/20210325-GCCcore-10.2.0,1 - * remove texlive/20220321-GCC-11.2.0,1 - * remove texlive/20230313-GCC-11.3.0,1 - * remove Theano/1.1.2-foss-2020b-PyMC,1 - * remove Theano/1.1.2-intel-2020b-PyMC,1 - * remove time/1.9-GCCcore-11.3.0,1 - * remove Tk/8.6.10-GCCcore-10.2.0,1 - * remove Tk/8.6.11-GCCcore-10.3.0,1 - * remove Tk/8.6.11-GCCcore-11.2.0,1 - * remove Tk/8.6.12-GCCcore-11.3.0,1 - * remove Tk/8.6.6,1 - * remove Tkinter/2.7.18-GCCcore-10.2.0,1 - * remove Tkinter/3.10.4-GCCcore-11.3.0,1 - * remove Tkinter/3.8.6-GCCcore-10.2.0,1 - * remove Tkinter/3.9.6-GCCcore-11.2.0,1 - * remove Togl/2.0-GCCcore-11.3.0,1 - * remove TOML-Fortran/0.3.1-GCC-11.2.0,1 - * remove TOML-Fortran/0.3.1-GCC-11.3.0,1 - * remove TotalView/2021.2.14,1 - * remove TotalView/2022.1.11,1 - * remove tqdm/4.56.2-GCCcore-10.2.0,1 - * remove TURBOMOLE/7.5.0,1 - * remove TURBOMOLE/7.5.0-mpi,1 - * remove TURBOMOLE/7.5.0-smp,1 - * remove typing-extensions/3.10.0.0-GCCcore-10.3.0,1 - * remove typing-extensions/3.7.4.3-GCCcore-10.2.0,1 - * remove Ubuntu/latest,1 - * remove Ubuntu/ubuntu_blender,1 - * remove UCC/1.0.0-GCCcore-11.3.0,1 - * remove UCC/1.1.0-GCCcore-10.2.0,1 - * remove UCC/1.1.0-GCCcore-12.2.0,1 - * remove UCC/1.2.0-GCCcore-12.3.0,1 - * remove UCC/1.2.0-GCCcore-13.2.0,1 - * remove UCC-CUDA/1.0.0-GCCcore-11.3.0-CUDA-11.7.0,1 - * remove UCC-CUDA/1.1.0-GCCcore-12.2.0-CUDA-12.2.0,1 - * remove UCX/1.10.0-AOCL-3.0.1-AOCC-3.1.0,1 - * remove UCX/1.10.0-GCCcore-10.3.0,1 - * remove UCX/1.11.2-GCC-10.2.0-CUDA-11.4.1,1 - * remove UCX/1.11.2-GCC-10.2.0-CUDA-11.6.0,1 - * remove UCX/1.11.2-GCCcore-11.2.0,1 - * remove UCX/1.11.2-NVHPC-21.9-CUDA-11.4.1,1 - * remove UCX/1.11.2-NVHPC-22.2-CUDA-11.6.0,1 - * remove UCX/1.12.0-GCC-10.2.0-CUDA-11.6.0,1 - * remove UCX/1.12.0-NVHPC-22.2-CUDA-11.6.0,1 - * remove UCX/1.12.1-GCCcore-10.2.0,1 - * remove UCX/1.12.1-GCCcore-11.3.0,1 - * remove UCX/1.13.1-GCCcore-12.2.0,1 - * remove UCX/1.14.0-GCCcore-12.2.0,1 - * remove UCX/1.14.1-GCCcore-11.3.0,1 - * remove UCX/1.14.1-GCCcore-12.2.0,1 - * remove UCX/1.14.1-GCCcore-12.3.0,1 - * remove UCX/1.15.0-GCCcore-13.2.0,1 - * remove UCX/1.6.1-GCCcore-6.3.0,1 - * remove UCX/1.8.0-GCCcore-9.3.0,1 - * remove UCX/1.9.0-GCCcore-10.2.0,1 - * remove UCX/1.9.0-GCCcore-10.2.0-CUDA-11.1.1,1 - * remove UCX/1.9.0-GCCcore-8.2.0,1 - * remove UCX/1.9.0-GCCcore-9.3.0,1 - * remove UCX/1.9.0-NVHPC-21.2,1 - * remove UCX/1.9.0-NVHPC-21.2-CUDA-11.2.2,1 - * remove UCX/1.9.0-NVHPC-21.2-CUDA-11.3.0,1 - * remove UCX-CUDA/1.10.0-GCCcore-10.3.0-CUDA-11.3.1,1 - * remove UCX-CUDA/1.11.2-GCCcore-11.2.0-CUDA-11.4.1,1 - * remove UCX-CUDA/1.12.1-GCCcore-10.2.0-CUDA-11.7.0,1 - * remove UCX-CUDA/1.12.1-GCCcore-11.3.0-CUDA-11.7.0,1 - * remove UCX-CUDA/1.12.1-GCCcore-11.3.0-CUDA-12.0.0,1 - * remove UCX-CUDA/1.13.1-GCCcore-12.2.0-CUDA-12.0.0,1 - * remove UCX-CUDA/1.14.1-GCCcore-11.3.0-CUDA-12.2.0,1 - * remove UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,1 - * remove UCX-CUDA/1.14.1-GCCcore-12.3.0-CUDA-12.1.1,1 - * remove UDUNITS/2.2.26-GCCcore-10.2.0,1 - * remove UDUNITS/2.2.28-GCCcore-10.3.0,1 - * remove UnZip/6.0-GCCcore-10.2.0,1 - * remove UnZip/6.0-GCCcore-10.3.0,1 - * remove UnZip/6.0-GCCcore-11.2.0,1 - * remove UnZip/6.0-GCCcore-11.3.0,1 - * remove UnZip/6.0-GCCcore-12.2.0,1 - * remove UnZip/6.0-GCCcore-12.3.0,1 - * remove UnZip/6.0-GCCcore-13.2.0,1 - * remove UnZip/6.0-GCCcore-9.3.0,1 - * remove util-linux/2.35-GCCcore-9.3.0,1 - * remove util-linux/2.36,1 - * remove util-linux/2.36-GCCcore-10.2.0,1 - * remove util-linux/2.36-GCCcore-10.3.0,1 - * remove util-linux/2.37-GCCcore-11.2.0,1 - * remove util-linux/2.38.1-GCCcore-12.2.0,1 - * remove util-linux/2.38-GCCcore-11.3.0,1 - * remove Valgrind/3.16.1-intel-2020b,1 - * remove Vampir/9.9.0,1 - * remove VASP/5.4.4-intel-2020a,1 - * remove VASP/5.4.4-intel-2020a-mkl=sequential,1 - * remove VASP/5.4.4-intel-2020a-mkl=sequential-BEEF,1 - * remove VASP/5.4.4-intel-2020a-mkl=sequential-VTST-184,1 - * remove VASP/5.4.4-intel-2020a-VASPsol,1 - * remove VASP/6.2.0-intel-2020b-mkl=sequential,1 - * remove VASP/6.2.0-intel-2020b-mkl=sequential-march=znver2,1 - * remove VASP/6.2.1-intel-2020b-mkl=sequential,1 - * remove VASP/6.2.1-intel-2020b-mkl=sequential-march=znver2,1 - * remove VASP/6.2.1-intel-2020b-mkl=sequential-VASPsol,1 - * remove VASP/6.3.0-intel-2021b-mkl=sequential-march=znver3,1 - * remove VASP/6.3.0-intel-2021b-mkl=sequential-VTST-184,1 - * remove VASP/6.3.1-intel-2021b,1 - * remove VASP/6.3.2-foss-2021b,1 - * remove VASP/6.3.2-intel-2021b,1 - * remove VASP/6.3.2-intel-2021b-SCPC,1 - * remove VASP/6.3.2-NVHPC-22.2-CUDA-11.6.0,1 - * remove VASP/6.4.2-intel-2022b,1 - * remove VASP/6.4.2-intel-2022b-DFT-D4,1 - * remove VASP/6.4.2-NVHPC-23.5-CUDA-12.2.0,1 - * remove vaspkit/1.3.3-foss-2020b,1 - * remove VESTA/3.5.7-gtk3,1 - * remove Vim/9.0.0950-GCCcore-11.3.0,1 - * remove VirtualGL/2.6.5-GCC-10.3.0,1 - * remove VirtualGL/3.0-GCC-10.2.0,1 - * remove VisIt/2.13.3,1 - * remove VisIt/3.3.3,1 - * remove VMD/1.9.4a51-foss-2020b,1 - * remove Voro++/0.4.6-GCCcore-11.2.0,1 - * remove Voro++/0.4.6-GCCcore-11.3.0,1 - * remove VTK/9.1.0-foss-2021b,1 - * remove VTK/9.2.2-foss-2022a,1 - * remove VTK/9.2.2-intel-2022a,1 - * remove VTune/2019_update5,1 - * remove VTune/2020_update3,1 - * remove VTune/2021_9,1 - * remove Waltz/1.0,1 - * remove Wannier90/3.1.0-foss-2021b-serial,1 - * remove Wannier90/3.1.0-intel-2020b,1 - * remove Wannier90/3.1.0-intel-2021a,1 - * remove Wannier90/3.1.0-intel-2021b-serial,1 - * remove Wannier90/3.1.0-intel-2022a,1 - * remove Wannier90/3.1.0-intel-2022b-serial,1 - * remove Wayland/1.20.0-GCCcore-11.2.0,1 - * remove WIEN2k/21.1-intel-2021a,1 - * remove WIEN2k/23.2-intel-2022a,1 - * remove WRF/3.9.1.1,1 - * remove wxWidgets/3.1.5-GCC-10.3.0,1 - * remove wxWidgets/3.2.2.1-GCCcore-12.2.0,1 - * remove X11/20200222-GCCcore-9.3.0,1 - * remove X11/20201008-GCCcore-10.2.0,1 - * remove X11/20210518-GCCcore-10.3.0,1 - * remove X11/20210802-GCCcore-11.2.0,1 - * remove X11/20220504-GCCcore-11.3.0,1 - * remove X11/20221110-GCCcore-12.2.0,1 - * remove x264/20201026-GCCcore-10.2.0,1 - * remove x264/20210414-GCCcore-10.3.0,1 - * remove x264/20210613-GCCcore-11.2.0,1 - * remove x264/20220620-GCCcore-11.3.0,1 - * remove x264/20230226-GCCcore-12.2.0,1 - * remove x265/3.3-GCCcore-10.2.0,1 - * remove x265/3.5-GCCcore-10.3.0,1 - * remove x265/3.5-GCCcore-11.2.0,1 - * remove x265/3.5-GCCcore-11.3.0,1 - * remove x265/3.5-GCCcore-12.2.0,1 - * remove XALT/2.10.37,1 - * remove XALT/2.10.45,1 - * remove XALT/2.10.45-eb,1 - * remove XALT/3.0.1,1 - * remove XCFun/2.1.1-GCCcore-10.3.0,1 - * remove XCFun/2.1.1-GCCcore-11.3.0,1 - * remove XCrySDen/1.6.2-foss-2022a,1 - * remove XCrySDen/1.6.2-intel-2022a,1 - * remove xmlf90/1.5.4-iccifort-2020.4.304,1 - * remove XMLSec/1.2.34-GCCcore-11.3.0,1 - * remove xorg-macros/1.19.2-GCCcore-10.2.0,1 - * remove xorg-macros/1.19.2-GCCcore-9.3.0,1 - * remove xorg-macros/1.19.3-GCCcore-10.3.0,1 - * remove xorg-macros/1.19.3-GCCcore-11.2.0,1 - * remove xorg-macros/1.19.3-GCCcore-11.3.0,1 - * remove xorg-macros/1.19.3-GCCcore-12.2.0,1 - * remove xorg-macros/1.20.0-GCCcore-12.3.0,1 - * remove xorg-macros/1.20.0-GCCcore-13.2.0,1 - * remove xprop/1.2.5-GCCcore-10.2.0,1 - * remove xprop/1.2.5-GCCcore-10.3.0,1 - * remove xtb4stda/1.0,1 - * remove xtb/6.5.1-foss-2022a,1 - * remove Xvfb/1.20.11-GCCcore-10.3.0,1 - * remove Xvfb/1.20.9-GCCcore-10.2.0,1 - * remove xxd/8.2.4220-GCCcore-10.3.0,1 - * remove xxd/8.2.4220-GCCcore-11.2.0,1 - * remove xxd/8.2.4220-GCCcore-11.3.0,1 - * remove XZ/5.2.5,1 - * remove XZ/5.2.5-GCCcore-10.2.0,1 - * remove XZ/5.2.5-GCCcore-10.3.0,1 - * remove XZ/5.2.5-GCCcore-11.2.0,1 - * remove XZ/5.2.5-GCCcore-11.3.0,1 - * remove XZ/5.2.5-GCCcore-9.3.0,1 - * remove XZ/5.2.7-GCCcore-12.2.0,1 - * remove XZ/5.4.2-GCCcore-12.3.0,1 - * remove XZ/5.4.4-GCCcore-13.2.0,1 - * remove Yambo/5.0.4-intel-2020a,1 - * remove Yambo/5.0.4-intel-2021a,1 - * remove Yambo/5.1.0-intel-2020a,1 - * remove Yasm/1.3.0-GCCcore-10.2.0,1 - * remove Yasm/1.3.0-GCCcore-10.3.0,1 - * remove Yasm/1.3.0-GCCcore-11.2.0,1 - * remove Yasm/1.3.0-GCCcore-11.3.0,1 - * remove Yasm/1.3.0-GCCcore-12.2.0,1 - * remove Z3/4.10.2-GCCcore-11.3.0,1 - * remove Z3/4.12.2-GCCcore-12.2.0,1 - * remove Z3/4.8.10-GCCcore-10.2.0,1 - * remove Z3/4.8.12-GCCcore-11.2.0,1 - * remove ZeroMQ/4.3.3-GCCcore-10.2.0,1 - * remove Zip/3.0-GCCcore-10.2.0,1 - * remove Zip/3.0-GCCcore-10.3.0,1 - * remove Zip/3.0-GCCcore-11.2.0,1 - * remove Zip/3.0-GCCcore-11.3.0,1 - * remove zlib/1.2.11,1 - * remove zlib/1.2.11-GCCcore-10.2.0,1 - * remove zlib/1.2.11-GCCcore-10.3.0,1 - * remove zlib/1.2.11-GCCcore-11.2.0,1 - * remove zlib/1.2.11-GCCcore-8.3.0,1 - * remove zlib/1.2.11-GCCcore-9.3.0,1 - * remove zlib/1.2.11-GCCcore-9.4.0,1 - * remove zlib/1.2.11-OAMD-2021a,1 - * remove zlib/1.2.12,1 - * remove zlib/1.2.12-GCCcore-11.3.0,1 - * remove zlib/1.2.12-GCCcore-12.1.0,1 - * remove zlib/1.2.12-GCCcore-12.2.0,1 - * remove zlib/1.2.12-GCCcore-12.3.0,1 - * remove zlib/1.2.13,1 - * remove zlib/1.2.13-GCCcore-12.3.0,1 - * remove zlib/1.2.13-GCCcore-13.2.0,1 - * remove zstd/1.4.5-GCCcore-10.2.0,1 - * remove zstd/1.4.9-GCCcore-10.3.0,1 - * remove zstd/1.5.0-GCCcore-11.2.0,1 - * remove zstd/1.5.2-GCCcore-11.3.0,1 - * remove zstd/1.5.2-GCCcore-12.2.0,1 - * remove zstd/1.5.5-GCCcore-12.3.0,1 - * remove zstd/1.5.5-GCCcore-13.2.0,1 - -## Thu Feb 1 11:00:04 2024 +0100 - * add stda/1.6.3,1 - * add xtb4stda/1.0,1 - -## Tue Jan 30 08:00:04 2024 +0100 - * add Serenity/1.6.0-foss-2022a,1 - -## Mon Jan 22 12:15:02 2024 +0100 - * add netCDF/4.9.2-gompi-2023b,1 - * add netCDF-Fortran/4.6.1-gompi-2023b,1 - * add zstd/1.5.5-GCCcore-13.2.0,1 - -## Mon Jan 22 12:00:02 2024 +0100 - * add Doxygen/1.9.8-GCCcore-13.2.0,1 - * add gzip/1.13-GCCcore-13.2.0,1 - * add HDF5/1.14.3-gompi-2023b,1 - * add libiconv/1.17-GCCcore-13.2.0,1 - * add lz4/1.9.4-GCCcore-13.2.0,1 - * add Szip/2.1.1-GCCcore-13.2.0,1 - -## Fri Jan 19 11:00:05 2024 +0100 - * add MIKE/2024,1 - -## Thu Jan 18 15:15:02 2024 +0100 - * add intel/2023b,1 - -## Thu Jan 18 15:00:03 2024 +0100 - * add iimpi/2023b,1 - * add imkl/2023.2.0,1 - * add imkl-FFTW/2023.2.0-iimpi-2023b,1 - * add impi/2021.10.0-intel-compilers-2023.2.1,1 - * add intel-compilers/2023.2.1,1 - -## Thu Jan 18 10:45:03 2024 +0100 - * add HDF5/1.14.0-nvompi-2023.03,1 - * add OpenMPI/4.1.6-NVHPC-23.3-CUDA-12.2.0,1 - -## Thu Jan 18 10:00:02 2024 +0100 - * add HDF5/1.14.0-nvompi-2023.05,1 - -## Wed Jan 17 14:45:02 2024 +0100 - * add OpenMPI/4.1.6-NVHPC-23.5-CUDA-12.2.0,1 - -## Wed Jan 17 14:30:03 2024 +0100 - * add HDF5/1.14.0-nvompi-2023.11,1 - -## Wed Jan 17 14:15:03 2024 +0100 - * add nvompi/2023.11,1 - * add OpenMPI/4.1.6-NVHPC-23.11-CUDA-12.2.0,1 - -## Wed Jan 17 13:30:03 2024 +0100 - * add OpenMPI/4.1.5-NVHPC-23.11-CUDA-12.2.0,1 - -## Wed Jan 17 11:30:03 2024 +0100 - * add nvompi/2023.03,1 - * add nvompi/2023.05,1 - -## Wed Jan 17 11:00:03 2024 +0100 - * add OpenMPI/4.1.5-NVHPC-23.3-CUDA-12.2.0,1 - * add OpenMPI/4.1.5-NVHPC-23.5-CUDA-12.2.0,1 - -## Wed Jan 17 10:30:02 2024 +0100 - * remove GDRCopy/2.4-GCCcore-13.2.0,1 - * remove HDF5/1.14.0-nvompi-2023.11,1 - * remove nvompi/2023.11,1 - * remove OpenMPI/4.1.6-NVHPC-23.11-CUDA-12.2.0,1 - * remove Szip/2.1.1-GCCcore-13.2.0,1 - * remove UCX-CUDA/1.15.0-GCCcore-13.2.0-CUDA-12.2.0,1 - -## Wed Jan 17 10:00:02 2024 +0100 - * add HDF5/1.14.0-nvompi-2022.07,1 - -## Wed Jan 17 09:45:03 2024 +0100 - * remove OpenMPI/4.1.5-NVHPC-23.5-CUDA-12.2.0,1 - -## Wed Jan 17 09:30:03 2024 +0100 - * add HDF5/1.14.0-nvompi-2023.11,1 - * remove nvompi/2023.3,1 - * remove OpenMPI/4.1.5-NVHPC-23.3-CUDA-12.2.0,1 - * add Szip/2.1.1-GCCcore-13.2.0,1 - -## Wed Jan 17 09:15:02 2024 +0100 - * add nvompi/2023.3,1 - * add nvompi/2023.5,1 - -## Wed Jan 17 09:00:03 2024 +0100 - * add OpenMPI/4.1.5-NVHPC-23.3-CUDA-12.2.0,1 - -## Wed Jan 17 08:30:02 2024 +0100 - * add nvompi/2022.07,1 - -## Wed Jan 17 08:15:03 2024 +0100 - * add OpenMPI/4.1.4-NVHPC-22.7-CUDA-11.7.0,1 - -## Wed Jan 17 06:30:02 2024 +0100 - * add nvompi/2023.11,1 - -## Tue Jan 16 16:00:02 2024 +0100 - * add OpenMPI/4.1.6-NVHPC-23.11-CUDA-12.2.0,1 - -## Tue Jan 16 10:00:03 2024 +0100 - * add pkgconf/2.0.3-NVHPC-23.11,1 - -## Tue Jan 16 09:15:03 2024 +0100 - * add GDRCopy/2.4-GCCcore-13.2.0,1 - * add UCX-CUDA/1.15.0-GCCcore-13.2.0-CUDA-12.2.0,1 - -## Tue Jan 16 09:00:02 2024 +0100 - * add NVHPC/23.11,1 - -## Tue Jan 16 08:45:03 2024 +0100 - * remove NVHPC/23.11,1 - -## Mon Jan 15 14:45:03 2024 +0100 - * add NVHPC/23.11,1 - -## Thu Jan 11 13:45:03 2024 +0100 - * add CP2K/2024.1-foss-2022a,1 - -## Thu Jan 11 11:15:03 2024 +0100 - * add ANSYS/2023R2-intel-2022.12-palanti,1 - -## Fri Jan 5 15:30:03 2024 +0100 - * add BLIS/0.9.0-GCC-13.2.0,1 - * add FlexiBLAS/3.3.1-GCC-13.2.0,1 - * add foss/2023b,1 - * add OpenBLAS/0.3.24-GCC-13.2.0,1 - * add Python/3.11.5-GCCcore-13.2.0,1 - * add ScaLAPACK/2.2.0-gompi-2023b-fb,1 - -## Fri Jan 5 15:15:03 2024 +0100 - * add CMake/3.27.6-GCCcore-13.2.0,1 - * add libffi/3.4.4-GCCcore-13.2.0,1 - * add SQLite/3.43.1-GCCcore-13.2.0,1 - * add Tcl/8.6.13-GCCcore-13.2.0,1 - -## Fri Jan 5 15:00:03 2024 +0100 - * add bzip2/1.0.8-GCCcore-13.2.0,1 - * add cURL/8.3.0-GCCcore-13.2.0,1 - * add FFTW/3.3.10-GCC-13.2.0,1 - * add FFTW.MPI/3.3.10-gompi-2023b,1 - * add gompi/2023b,1 - * add libarchive/3.7.2-GCCcore-13.2.0,1 - * add libreadline/8.2-GCCcore-13.2.0,1 - * add make/4.4.1-GCCcore-13.2.0,1 - * add ncurses/6.4-GCCcore-13.2.0,1 - * add UnZip/6.0-GCCcore-13.2.0,1 - -## Tue Jan 2 11:00:02 2024 +0100 - * add XALT/3.0.1,1 - -## Tue Jan 2 09:00:02 2024 +0100 - * add EasyBuild/4.9.0,1 - -## Fri Dec 1 09:15:02 2023 +0100 - * remove cuTENSOR/2.0.0.7-CUDA-12.2.0,1 - -## Fri Dec 1 09:00:03 2023 +0100 - * add cuTENSOR/2.0.0.7-CUDA-12.2.0-conda,1 - -## Wed Nov 29 10:00:02 2023 +0100 - * add cuTENSOR/2.0.0.7-CUDA-12.2.0,1 - -## Tue Nov 28 15:15:03 2023 +0100 - * add openPMD-api/0.15.2-gompi-2020b,1 - -## Tue Nov 28 15:00:03 2023 +0100 - * add ADIOS2/2.9.2-gompi-2020b,1 - -## Tue Nov 28 13:00:03 2023 +0100 - * add binutils/2.36.1-GCCcore-9.4.0,1 - * add Bison/3.7.6-GCCcore-9.4.0,1 - * add flex/2.6.4-GCCcore-9.4.0,1 - * add GCC/9.4.0,1 - * add GCCcore/9.4.0,1 - * add help2man/1.48.3-GCCcore-9.4.0,1 - * add M4/1.4.19-GCCcore-9.4.0,1 - * add OpenMPI/4.1.4-GCC-10.2.0-CUDA-11.7.0,1 - * add zlib/1.2.11-GCCcore-9.4.0,1 - -## Tue Nov 28 12:00:02 2023 +0100 - * add UCC/1.1.0-GCCcore-10.2.0,1 - -## Tue Nov 28 11:45:02 2023 +0100 - * add UCX/1.12.1-GCCcore-10.2.0,1 - * add UCX-CUDA/1.12.1-GCCcore-10.2.0-CUDA-11.7.0,1 - -## Tue Nov 28 11:15:03 2023 +0100 - * add pkgconf/1.8.0-GCCcore-10.2.0,1 - -## Tue Nov 28 09:30:02 2023 +0100 - * add ANSYS/2023R2-intel-2022.12-alamerini,1 - -## Fri Nov 24 12:15:02 2023 +0100 - * add NWChem/7.2.2-intel-2022a,1 - -## Fri Nov 24 11:15:03 2023 +0100 - * add Smilei/5.0-intel-2020b,1 - -## Tue Nov 21 13:30:02 2023 +0100 - * add ADIOS2/2.7.0-gompi-2020e,1 - * add openPMD-api/0.14.4-gompi-2020e,1 - -## Tue Nov 21 13:15:03 2023 +0100 - * add c-blosc/1.21.0-GCC-10.3.0,1 - * add HDF5/1.12.0-gompi-2020e,1 - * add libfabric/1.11.0-GCCcore-10.3.0,1 - -## Tue Nov 21 13:00:03 2023 +0100 - * add gompi/2020e,1 - * add OpenMPI/4.1.4-GCC-10.3.0-CUDA-11.3.1,1 - * add PNGwriter/0.7.0-GCC-10.3.0,1 - -## Tue Nov 21 12:30:03 2023 +0100 - * add ADIOS2/2.7.0-gompi-2020d,1 - * add openPMD-api/0.14.4-gompi-2020d,1 - -## Tue Nov 21 12:15:03 2023 +0100 - * add gompi/2020d,1 - * add HDF5/1.12.0-gompi-2020d,1 - -## Tue Nov 21 12:00:02 2023 +0100 - * add OpenMPI/4.1.4-GCC-10.3.0-CUDA-11.7.0,1 - -## Tue Nov 21 11:30:03 2023 +0100 - * add pkgconf/1.8.0-GCCcore-10.3.0,1 - -## Mon Nov 20 11:30:02 2023 +0100 - * add Anaconda3/2023.09-0,1 - -## Mon Nov 20 10:15:04 2023 +0100 - * add ANSYS/2023R2-intel-2022.12,1 - -## Mon Nov 20 09:30:03 2023 +0100 - * add iimpi/2022.12,1 - * add imkl/2023.0.0,1 - * add imkl-FFTW/2023.0.0-iimpi-2022.12,1 - * add intel/2022.12,1 - -## Mon Nov 20 09:15:02 2023 +0100 - * add impi/2021.8.0-intel-compilers-2023.0.0,1 - * add intel-compilers/2023.0.0,1 - -## Tue Nov 14 09:15:03 2023 +0100 - * add Clang/12.0.1-GCCcore-11.2.0,1 - * add pocl/1.8-GCC-11.2.0,1 - * add PyOpenCL/2021.2.13-foss-2021b,1 - -## Mon Nov 13 11:30:03 2023 +0100 - * remove GPAW/23.9.1-intel-2022a,1 - -## Mon Nov 13 11:15:03 2023 +0100 - * add GPAW/23.9.1-intel-2022a,1 - -## Mon Nov 13 11:00:04 2023 +0100 - * add GPAW-setups/0.9.20000,1 - -## Mon Nov 13 10:45:04 2023 +0100 - * add ABINIT/9.10.3-intel-2022a,1 - -## Mon Nov 13 10:15:03 2023 +0100 - * add Wannier90/3.1.0-intel-2022a,1 - -## Mon Nov 13 09:45:02 2023 +0100 - * add cuQuantum/23.10.0-CUDA-12.2.0-conda,1 - -## Thu Nov 9 09:30:05 2023 +0100 - * add ANSYS/2023R1-vut,1 - -## Mon Nov 6 09:00:13 2023 +0100 - * add phonopy/1.9.1-conda,1 - -## Fri Nov 3 11:15:03 2023 +0100 - * add GROMACS/2023-foss-2022a-CUDA-12.2.0-PLUMED-2.9.0-mpi,1 - -## Fri Nov 3 11:00:02 2023 +0100 - * remove GROMACS/2023-foss-2022a-CUDA-12.2.0-PLUMED-2.9.0-mpi,1 - -## Fri Nov 3 10:30:02 2023 +0100 - * add OpenMPI/4.1.4-GCC-11.3.0,1 - -## Fri Nov 3 10:00:02 2023 +0100 - * remove OpenMPI/4.1.4-GCC-11.3.0,1 - -## Fri Nov 3 09:45:04 2023 +0100 - * add MATLAB/R2023b-iso,1 - -## Thu Nov 2 12:15:03 2023 +0100 - * add Qt6/6.6.0-GCCcore-12.2.0,1 - -## Wed Nov 1 15:00:03 2023 +0100 - * add FlexiBLAS/3.3.1-GCC-12.3.0,1 - * add foss/2023a,1 - * add ScaLAPACK/2.2.0-gompi-2023a-fb,1 - -## Wed Nov 1 14:45:05 2023 +0100 - * add BLIS/0.9.0-GCC-12.3.0,1 - * add FFTW/3.3.10-GCC-12.3.0,1 - * add FFTW.MPI/3.3.10-gompi-2023a,1 - * add gompi/2023a,1 - * add make/4.4.1-GCCcore-12.3.0,1 - * add OpenBLAS/0.3.23-GCC-12.3.0,1 - -## Wed Nov 1 13:45:03 2023 +0100 - * add OpenMPI/4.1.5-GCC-12.3.0,1 - -## Wed Nov 1 13:30:03 2023 +0100 - * add PMIx/4.2.4-GCCcore-12.3.0,1 - -## Wed Nov 1 12:30:03 2023 +0100 - * add HyperQueue/0.17.0,1 - -## Wed Nov 1 11:15:03 2023 +0100 - * add OpenMPI/4.1.6-GCC-13.2.0,1 - -## Wed Nov 1 11:00:03 2023 +0100 - * add hwloc/2.9.2-GCCcore-13.2.0,1 - * add libxml2/2.11.5-GCCcore-13.2.0,1 - * add PMIx/4.2.6-GCCcore-13.2.0,1 - * add XZ/5.4.4-GCCcore-13.2.0,1 - -## Wed Nov 1 10:45:03 2023 +0100 - * add Autoconf/2.71-GCCcore-13.2.0,1 - * add Automake/1.16.5-GCCcore-13.2.0,1 - * add Autotools/20220317-GCCcore-13.2.0,1 - * add gettext/0.22,1 - * add libevent/2.1.12-GCCcore-13.2.0,1 - * add libfabric/1.19.0-GCCcore-13.2.0,1 - * add libpciaccess/0.17-GCCcore-13.2.0,1 - * add libtool/2.4.7-GCCcore-13.2.0,1 - * add ncurses/6.4,1 - * add numactl/2.0.16-GCCcore-13.2.0,1 - * add Perl/5.38.0-GCCcore-13.2.0,1 - * add UCC/1.2.0-GCCcore-13.2.0,1 - * add UCX/1.15.0-GCCcore-13.2.0,1 - * add xorg-macros/1.20.0-GCCcore-13.2.0,1 - -## Wed Nov 1 10:30:02 2023 +0100 - * add pkgconf/2.0.3-GCCcore-13.2.0,1 - -## Wed Nov 1 10:00:03 2023 +0100 - * add binutils/2.40-GCCcore-13.2.0,1 - * add GCC/13.2.0,1 - -## Wed Nov 1 09:45:03 2023 +0100 - * add Bison/3.8.2-GCCcore-13.2.0,1 - * add flex/2.6.4-GCCcore-13.2.0,1 - * add GCCcore/13.2.0,1 - * add help2man/1.49.3-GCCcore-13.2.0,1 - * add M4/1.4.19-GCCcore-13.2.0,1 - * add zlib/1.2.13-GCCcore-13.2.0,1 - -## Wed Nov 1 08:30:03 2023 +0100 - * add EasyBuild/4.8.2,1 - -## Tue Oct 31 12:45:03 2023 +0100 - * add GROMACS/2023-foss-2022a-CUDA-12.2.0-PLUMED-2.9.0,1 - * add GROMACS/2023-foss-2022a-CUDA-12.2.0-PLUMED-2.9.0-mpi,1 - -## Tue Oct 31 12:30:03 2023 +0100 - * remove lmod,1 - * remove settarg,1 - -## Tue Oct 31 11:27:32 2023 +0100 - * add Abseil/20230125.2-GCCcore-12.2.0,1 - * remove ADIOS2/2.7.0-gompi-2020d,1 - * remove AlphaFold/2.1.2-fosscuda-2020b-TensorFlow-2.5.0,1 - * add AlphaFold/2.3.1-foss-2022a,1 - * add AlphaFold/2.3.4-foss-2022a-ColabFold,1 - * add AlphaFold/2.3.4-foss-2022a-CUDA-11.7.0-ColabFold,1 - * remove AlphaPulldown/0.30.7-fosscuda-2020b,1 - * remove Amber/20.11-fosscuda-2020b-AmberTools-21.3,1 - * add Amber/22.0-foss-2022a-AmberTools-23.3-CUDA-11.7.0,1 - * add Anaconda3/2023.07-2,1 - * add ANSYS/2022R1-intel-2020b-alamerini,1 - * add ANSYS/22.1-intel-2020b-alamerini,1 - * add AOCC/4.1.0-GCCcore-12.2.0,1 - * add AOCL/4.1.0-GCCcore-12.2.0,1 - * remove apex/20210420-fosscuda-2020b,1 - * add archspec/0.1.4-GCCcore-11.3.0,1 - * remove Biopython/1.78-fosscuda-2020b,1 - * add Biopython/1.79-foss-2022a,1 - * add Blender/3.6.5-GCC-10.3.0,1 - * remove Boost/1.72.0-gompi-2020a,1 - * remove cctbx-base/2020.8-fosscuda-2020b,1 - * add Clang/17.0.2-GCCcore-12.2.0,1 - * add Clang/17.0.2-GCCcore-12.2.0-CUDA-12.2.0,1 - * remove CP2K/8.2-fosscuda-2020b,1 - * remove CuPy/8.5.0-fosscuda-2020b,1 - * add DFT-D4/3.6.0-intel-2022b-Python-3.10.8,1 - * remove ELPA/2020.11.001-fosscuda-2020b,1 - * add ELPA/2022.05.001-foss-2022b,1 - * add expecttest/0.1.3-GCCcore-12.2.0,1 - * add FFmpeg/4.4.2-GCCcore-11.3.0,1 - * remove FFTW/3.3.7-gompi-2018a,1 - * remove foss/2018a,1 - * add Forge/23.0.2,1 - * add giflib/5.2.1-GCCcore-12.2.0,1 - * remove gompi/2018a,1 - * remove gompi/2020d,1 - * remove GROMACS/2018.8-fosscuda-2020b-PLUMED-5.6-switch,1 - * remove GROMACS/2020.4-fosscuda-2020b-PLUMED-2.7.0-patch,1 - * remove GROMACS/2022-foss-2020a-constantph,1 - * remove GROMACS/2022-foss-2020a-CUDA-12.0.0-constantph,1 - * add GROMACS/2023.3-foss-2022a-CUDA-12.0.0,1 - * add GROMACS/2023.3-foss-2022a-CUDA-12.0.0-v2,1 - * remove h5py/3.1.0-fosscuda-2020b,1 - * remove HDF5/1.12.0-gompi-2020d,1 - * add HH-suite/3.3.0-gompi-2022a,1 - * add HMMER/3.3.2-gompi-2022a,1 - * add hwloc/2.8.0,1 - * add hwloc/2.9.1-GCCcore-12.3.0,1 - * add Hypre/2.27.0-foss-2022b,1 - * remove IMOD/4.11.1-fosscuda-2020b,1 - * add impi/2021.4.0-intel-compilers-2022.1.0,1 - * add impi/2021.4.0-intel-compilers-2022.2.1,1 - * add impi/2021.4.0-intel-compilers-2023.1.0,1 - * remove jax/0.2.19-fosscuda-2020b,1 - * add jax/0.3.25-foss-2022a,1 - * add jax/0.3.25-foss-2022a-CUDA-11.7.0,1 - * add Kalign/3.3.5-GCCcore-11.3.0,1 - * add kim-api/2.3.0-GCCcore-11.3.0,1 - * add LAMMPS/23Jun2022-foss-2022a-kokkos,1 - * add LAMMPS/2Aug2023-foss-2021b-CUDA-12.2.0-kokkos,1 - * add LAPACK/3.10.0-GCC-12.2.0,1 - * add libevent/2.1.11-GCCcore-9.3.0,1 - * add libevent/2.1.12,1 - * add libevent/2.1.12-GCCcore-12.3.0,1 - * add libfabric/1.11.0-GCCcore-9.3.0,1 - * add libfabric/1.18.0-GCCcore-12.3.0,1 - * remove libgpuarray/0.7.6-fosscuda-2020b,1 - * add libpciaccess/0.17-GCCcore-12.3.0,1 - * add libwebp/1.3.1-GCCcore-12.2.0,1 - * add libxsmm/1.17-GCC-12.2.0,1 - * add make/4.3-GCCcore-11.3.0,1 - * add make/4.3-GCCcore-9.3.0,1 - * remove MaSuRCA/4.0.7-foss-2020a-Perl-5.30.2,1 - * add MATLAB/R2023b,1 - * remove matplotlib/3.3.3-fosscuda-2020b,1 - * add mpi4py/3.1.4-gompi-2022b,1 - * remove mrcfile/1.3.0-fosscuda-2020b,1 - * remove numba/0.52.0-fosscuda-2020b,1 - * remove obspy/1.3.0-fosscuda-2020b,1 - * remove OpenBLAS/0.2.20-GCC-6.3.0-2.27,1 - * add OpenJPEG/2.5.0-GCCcore-11.3.0,1 - * remove OpenMM/7.5.0-fosscuda-2020b,1 - * add OpenMM/8.0.0-foss-2022a,1 - * add OpenMM/8.0.0-foss-2022a-CUDA-11.7.0,1 - * add OpenMolcas/23.06-intel-2022a,1 - * add OpenMolcas/23.06-intel-2022a-noGA,1 - * remove OpenMPI/3.1.4-GCC-6.3.0-2.27,1 - * add OpenMPI/3.1.6-GCC-10.2.0,1 - * remove OpenMPI/4.0.5-iccifort-2020.4.304,1 - * remove OpenMPI/4.0.5-NVHPC-21.2-CUDA-11.2.2,1 - * remove OpenMPI/4.0.5-NVHPC-21.2-CUDA-11.3.0,1 - * add OpenMPI/4.1.5-GCC-12.2.0,1 - * add OpenMX/3.8-intel-2023a,1 - * remove openPMD-api/0.14.4-gompi-2020d,1 - * remove ORCA/4.2.1-OpenMPI-3.1.4,1 - * add OVITO/3.7.11-gompi-2022a-basic,1 - * add OVITO/3.9.2-gompi-2022b-basic,1 - * remove PhaseLink/20210503-fosscuda-2020b,1 - * add PETSc/3.19.2-foss-2022b,1 - * add phono3py/2.7.0-conda,1 - * add phonopy/2.20.0-conda,1 - * add phonopy/2.20.0-foss-2022a,1 - * add Pillow/9.4.0-GCCcore-12.2.0,1 - * remove PLUMED/2.5.6-fosscuda-2020b-patch,1 - * remove PLUMED/2.5.6-fosscuda-2020b-switch,1 - * remove PLUMED/2.7.0-fosscuda-2020b,1 - * remove PLUMED/2.7.0-fosscuda-2020b-patch,1 - * remove PLUMED/2.7.2-fosscuda-2020b,1 - * remove PLUMED/2.8.0-fosscuda-2020b,1 - * add PLUMED/2.8.1-foss-2022a,1 - * add PLUMED/2.9.0-foss-2022a,1 - * add PLUMED/2.9.0-foss-2022a-mpi,1 - * add PMIx/3.1.5-GCCcore-9.3.0,1 - * add PMIx/3.2.5,1 - * add PMIx/4.2.6,1 - * add PMIx/4.2.6-GCC-12.2.0,1 - * add PMIx/5.0.1,1 - * add PnetCDF/1.12.3-gompi-2022a,1 - * add poppler/22.12.0-GCC-11.3.0,1 - * add protobuf/23.0-GCCcore-12.2.0,1 - * add protobuf-python/4.23.0-GCCcore-12.2.0,1 - * add pytest-rerunfailures/12.0-GCCcore-12.2.0,1 - * add pytest-shard/0.1.2-GCCcore-12.2.0,1 - * remove PyTorch/1.10.0-fosscuda-2020b,1 - * add PyTorch/1.13.1-foss-2022b,1 - * add Qt6/6.5.3-GCCcore-12.2.0,1 - * remove ScaLAPACK/2.0.2-gompi-2018a-OpenBLAS-0.2.20,1 - * add ScaFaCoS/1.0.4-foss-2022a,1 - * remove scikit-learn/0.23.2-fosscuda-2020b,1 - * remove SciPy-bundle/2020.11-fosscuda-2020b,1 - * add spglib-python/2.0.0-foss-2022a,1 - * add SuperLU_DIST/8.1.2-foss-2022b,1 - * add SWIG/4.0.2-GCCcore-11.3.0,1 - * add tbb/2021.5.0-GCCcore-11.3.0,1 - * add TensorFlow/2.11.0-foss-2022a-CUDA-11.7.0,1 - * remove TensorFlow/2.4.1-fosscuda-2020b,1 - * remove TensorFlow/2.5.0-fosscuda-2020b,1 - * add texlive/20230313-GCC-11.3.0,1 - * remove Theano/1.1.2-fosscuda-2020b-PyMC,1 - * remove torchaudio/0.10.0-fosscuda-2020b-PyTorch-1.10.0,1 - * remove torchvision/0.11.3-fosscuda-2020b-PyTorch-1.10.0,1 - * add UCC/1.2.0-GCCcore-12.3.0,1 - * add UCX/1.14.1-GCCcore-11.3.0,1 - * add UCX-CUDA/1.14.1-GCCcore-11.3.0-CUDA-12.2.0,1 - * add VASP/6.4.2-intel-2022b,1 - * add VASP/6.4.2-intel-2022b-DFT-D4,1 - * add VisIt/2.13.3,1 - * remove VMD/1.9.4a51-fosscuda-2020b,1 - * add Voro++/0.4.6-GCCcore-11.3.0,1 - * add VTK/9.2.2-foss-2022a,1 - * add Wannier90/3.1.0-intel-2022b-serial,1 - * add xorg-macros/1.20.0-GCCcore-12.3.0,1 - * add Z3/4.12.2-GCCcore-12.2.0,1 - * add zlib/1.2.12-GCCcore-12.3.0,1 - -## Wed Sep 13 13:15:03 2023 - - * add arpack-ng/3.8.0-intel-2022a,1 - * add pkg-config/0.29.2-GCCcore-11.3.0,1 - -## Wed Sep 13 13:00:03 2023 - - * add DFTB+/23.1-intel-2022a,1 - * add dftd3-lib/0.9.2-GCC-11.3.0,1 - -## Wed Sep 13 12:30:03 2023 - - * add ELSI/2.9.1-intel-2022a,1 - * add tblite/0.3.0-intel-2022a,1 - -## Wed Sep 13 10:45:03 2023 - - * add ELPA/2022.05.001-intel-2022a,1 - -## Wed Sep 13 10:00:03 2023 - - * add dftd3-lib/0.9.2-GCC-12.2.0,1 - -## Wed Sep 13 09:15:03 2023 - - * add tblite/0.3.0-intel-2022b,1 - -## Wed Sep 13 09:00:03 2023 - - * add OVITO/3.9.2-GCCcore-12.2.0-pro,1 - -## Wed Sep 13 08:30:03 2023 - - * add CMake/3.26.3-GCCcore-12.3.0,1 - * add double-conversion/3.3.0-GCCcore-12.3.0,1 - * add libarchive/3.6.2-GCCcore-12.3.0,1 - * add libpng/1.6.39-GCCcore-12.3.0,1 - * add Meson/1.1.1-GCCcore-12.3.0,1 - * add PCRE2/10.42-GCCcore-12.3.0,1 - * add Python/2.7.18-GCCcore-12.3.0,1 - * add re2c/3.1-GCCcore-12.3.0,1 - -## Wed Sep 13 08:15:03 2023 - - * add gperf/3.1-GCCcore-12.3.0,1 - * add Ninja/1.11.1-GCCcore-12.3.0,1 - -## Tue Sep 12 09:00:02 2023 - - * add cURL/8.0.1-GCCcore-12.3.0,1 - * add expat/2.5.0-GCCcore-12.3.0,1 - * add git/2.41.0-GCCcore-12.3.0-nodocs,1 - -## Tue Sep 12 08:45:03 2023 - - * add EasyBuild/4.8.1,1 - -## Fri Sep 8 11:00:03 2023 - - * add parallel/20230722-GCCcore-12.2.0,1 - -## Thu Sep 7 19:45:03 2023 - - * add ANSYS/2023R1-alamerini,1 - -## Thu Sep 7 12:00:03 2023 - - * add ANSYS/2023R1-intel-2022a-alamerini,1 - -## Mon Sep 4 15:00:02 2023 - - * add MUMPS/5.6.1-foss-2022b-metis,1 - -## Mon Sep 4 14:45:09 2023 - - * add ParMETIS/4.0.3-gompi-2022b,1 - -## Mon Sep 4 14:30:03 2023 - - * add SuiteSparse/5.13.0-foss-2022b-METIS-5.1.0,1 - -## Mon Sep 4 14:00:03 2023 - - * add HDF5/1.10.3-foss-2022b,1 - * add MEDCoupling/9.10.0-foss-2022b,1 - * add medfile/4.1.1-foss-2022b,1 - * add SALOME_CONFIGURATION/9.10.0,1 - * add SWIG/4.1.1-GCCcore-12.2.0,1 - -## Mon Sep 4 12:45:03 2023 - - * add GCC/12.3.0,1 - * add gettext/0.21.1-GCCcore-12.3.0,1 - * add gzip/1.12-GCCcore-12.3.0,1 - * add ICU/73.2-GCCcore-12.3.0,1 - * add libxml2/2.11.4-GCCcore-12.3.0,1 - * add lz4/1.9.4-GCCcore-12.3.0,1 - * add Python/3.11.3-GCCcore-12.3.0,1 - * add Python/3.11.3-GCCcore-12.3.0-test,1 - * add Python/3.8.6-GCCcore-10.2.0-alpha,1 - * add SQLite/3.33.0-GCCcore-9.3.0,1 - * add zstd/1.5.5-GCCcore-12.3.0,1 - -## Mon Sep 4 10:00:02 2023 - - * add libffi/3.4.4-GCCcore-12.3.0,1 - * add SQLite/3.42.0-GCCcore-12.3.0,1 - * add Tcl/8.6.13-GCCcore-12.3.0,1 - -## Mon Sep 4 09:45:03 2023 - - * add AlphaPulldown/0.30.7-fosscuda-2020b,1 - * add bzip2/1.0.8-GCCcore-12.3.0,1 - * add libreadline/8.2-GCCcore-12.3.0,1 - * add ncurses/6.4-GCCcore-12.3.0,1 - * add UnZip/6.0-GCCcore-12.3.0,1 - * add XZ/5.4.2-GCCcore-12.3.0,1 - -## Mon Sep 4 09:30:03 2023 - - * remove AlphaPulldown/0.30.7-fosscuda-2020b,1 - -## Fri Sep 1 16:45:03 2023 - - * add ORCA/5.0.3-foss-2022a,1 - -## Fri Sep 1 16:15:03 2023 - - * add ORCA/5.0.3-foss-2022b,1 - -## Tue Aug 29 09:30:03 2023 - - * add PSI4/1.8.1-foss-2022b,1 - -## Tue Aug 29 08:45:03 2023 - - * add networkx/3.1-foss-2022b,1 - * add psutil/5.9.5-GCCcore-12.2.0,1 - -## Mon Aug 28 11:45:03 2023 - - * add libxc/6.1.0-GCC-12.2.0,1 - -## Mon Aug 28 11:15:03 2023 - - * add pytest/7.2.2-GCCcore-12.2.0,1 - -## Mon Aug 28 09:15:03 2023 - - * add CheMPS2/1.8.12-foss-2022b,1 - -## Mon Aug 28 08:45:03 2023 - - * add xtb/6.5.1-foss-2022a,1 - -## Wed Aug 23 11:15:02 2023 - - * add imkl-FFTW/2023.1.0-iimpi-2023a,1 - * add intel/2023a,1 - -## Wed Aug 23 11:00:03 2023 - - * add iimpi/2023a,1 - * add imkl/2023.1.0,1 - * add impi/2021.9.0-intel-compilers-2023.1.0,1 - * add intel-compilers/2023.1.0,1 - -## Tue Aug 22 13:15:04 2023 - - * add Autoconf/2.71,1 - * add Automake/1.16.5,1 - * add Autotools/20220317,1 - * add libtool/2.4.7,1 - * add NCCL/2.18.3-NVHPC-23.7-CUDA-12.2.0,1 - * add numactl/2.0.16,1 - * add NVHPC/23.7,1 - -## Thu Aug 17 14:00:04 2023 - - * add NCCL/2.12.12-CUDA-12.2.0,1 - * add NCCL/2.12.12-GCCcore-12.2.0-CUDA-12.2.0,1 - * add NCCL/2.18.3-CUDA-12.2.0,1 - -## Thu Aug 17 13:45:03 2023 - - * add VASP/6.4.2-NVHPC-23.5-CUDA-12.2.0,1 - -## Thu Aug 17 13:30:04 2023 - - * remove OpenMPI/4.1.5-NVHPC-23.5,1 - -## Thu Aug 17 13:15:03 2023 - - * add NCCL/2.18.3-GCCcore-12.2.0-CUDA-12.2.0,1 - -## Thu Aug 17 12:00:04 2023 - - * add FFTW.MPI/3.3.10-NVHPC-23.5-CUDA-12.2.0,1 - * add ScaLAPACK/3.0-NVHPC-23.5-CUDA-12.2.0,1 - -## Thu Aug 17 11:45:03 2023 - - * add OpenMPI/4.1.5-NVHPC-23.5-CUDA-12.2.0,1 - -## Thu Aug 17 11:00:04 2023 - - * add FFTW/3.3.10-NVHPC-23.5-CUDA-12.2.0,1 - -## Thu Aug 17 10:45:02 2023 - - * add HDF5/1.14.0-NVHPC-23.5,1 - -## Thu Aug 17 10:30:05 2023 - - * add BLIS/3.1-GCCcore-12.2.0-amd,1 - * add libFLAME/5.2.0-GCCcore-12.2.0,1 - * add QD/2.3.17-NVHPC-23.5,1 - * add ScaLAPACK/3.0-NVHPC-23.5,1 - -## Wed Aug 16 11:15:02 2023 - - * add AlphaPulldown/0.30.7-fosscuda-2020b,1 - -## Tue Aug 15 12:30:02 2023 - - * add cctbx-base/2020.8-fosscuda-2020b,1 - * add mrcfile/1.3.0-fosscuda-2020b,1 - * add TensorFlow/2.4.1-fosscuda-2020b,1 - -## Tue Aug 15 10:30:04 2023 - - * add OpenMM/7.5.0-fosscuda-2020b,1 - -## Mon Aug 14 13:15:03 2023 - - * add AlphaPulldown/0.30.7-foss-2020b,1 - -## Mon Aug 14 12:45:02 2023 - - * add IPython/7.18.1-GCCcore-10.2.0,1 - * add JupyterLab/2.2.8-GCCcore-10.2.0,1 - * add libsodium/1.0.18-GCCcore-10.2.0,1 - * add OpenPGM/5.2.122-GCCcore-10.2.0,1 - * add TensorFlow/2.4.1-foss-2020b,1 - * add tqdm/4.56.2-GCCcore-10.2.0,1 - * add ZeroMQ/4.3.3-GCCcore-10.2.0,1 - -## Mon Aug 14 10:30:04 2023 - - * add h5py/3.1.0-foss-2020b,1 - -## Mon Aug 14 10:15:02 2023 - - * add Biopython/1.78-foss-2020b,1 - * add cctbx-base/2020.8-foss-2020b,1 - * add jax/0.2.19-foss-2020b,1 - * add LIBSVM/3.25-GCCcore-10.2.0,1 - * add mrcfile/1.3.0-foss-2020b,1 - -## Mon Aug 14 09:30:05 2023 - - * add OpenMM/7.5.0-foss-2020b,1 - -## Thu Aug 10 13:15:02 2023 - - * add DMTCP/3.0.0-GCCcore-11.3.0,1 - -## Wed Aug 9 11:45:02 2023 - - * add FFTW/3.3.10-NVHPC-23.5,1 - -## Tue Aug 8 20:45:02 2023 - - * add OpenMPI/4.1.5-NVHPC-23.5,1 - -## Tue Aug 8 20:30:03 2023 - - * remove OpenMPI/4.1.5-NVHPC-23.5,1 - -## Tue Aug 8 12:30:03 2023 - - * add UCC/1.1.0-GCCcore-12.2.0,1 - -## Tue Aug 8 12:15:03 2023 - - * remove UCC/1.1.0-GCCcore-12.2.0,1 - -## Tue Aug 8 12:00:10 2023 - - * add OpenMPI/4.1.5-NVHPC-23.5,1 - -## Tue Aug 8 11:00:03 2023 - - * add UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,1 - -## Tue Aug 8 10:45:03 2023 - - * add UCX/1.14.1-GCCcore-12.2.0,1 - * remove UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,1 - -## Tue Aug 8 10:15:03 2023 - - * remove UCX/1.14.1-GCCcore-12.2.0,1 - -## Tue Aug 8 10:00:02 2023 - - * add NCCL/2.16.2-GCCcore-12.2.0-CUDA-12.2.0,1 - * add UCC-CUDA/1.1.0-GCCcore-12.2.0-CUDA-12.2.0,1 - -## Tue Aug 8 09:45:02 2023 - - * add UCX/1.14.0-GCCcore-12.2.0,1 - * add UCX/1.14.1-GCCcore-12.2.0,1 - * add UCX-CUDA/1.14.1-GCCcore-12.2.0-CUDA-12.2.0,1 - -## Mon Aug 7 08:30:03 2023 - - * add NVSHMEM/2.7.0-gompi-2022a-CUDA-11.7.0,1 + * remove Tenso \ No newline at end of file