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karolina-changelog.md 17.80 KiB

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