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Commits on Mar 13, 2022

• TDDFT: Fix single precision float

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• DBM: Add HIP backend

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• DBM: Migrate to offload_runtime.h

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• Offload: Rename offload_set_device -> offload_activate_chosen_device

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• Offload: Rename offload_operations.h offload_runtime.h

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Commits on Mar 12, 2022

• Toolchain: Disable DBCSR_ACC for HIP/ROCm

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• Fix HIP/ROCm compilation some more

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Commits on Mar 11, 2022

• Docker: Postpone hip/rocm regtests until container execution

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• Docker: Remove libvori from i386 test

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• Docker: User build context for precommit test

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• Docker: Move install dir to /opt/cp2k

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Commits on Mar 10, 2022

• Offload: Add offload_fft.h and migrate pw/gpu

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• Offload: Simplify offload_operations.h

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• Makefile: Extend file naming convention to include HIP

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Commits on Mar 8, 2022

• DBM: Implement retain_sparsity for dbm_multiply

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Commits on Mar 5, 2022

• benchmarks: Enable ELPA for RI-MP2_ammonia.inp

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Commits on Mar 3, 2022

• Dashboard: Revive generate_regtest_survey.py

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Commits on Mar 2, 2022

• benchmarks: Tune RI-MP2_ammonia.inp to emphasis dgemms

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Commits on Feb 27, 2022

• Docker: Run performance tests with -bind-to socket

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• benchmarks: Add RI-MP2_ammonia.inp (Frederick Stein)

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• Docker: Add --shm-size=1g to readme

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Commits on Feb 25, 2022

• regtesting: Print test values again to restore survey

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• Link to docker from top level readme and INSTALL.md

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• Docker: Add README and small tweaks

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Commits on Feb 24, 2022

• Docker: Add production images

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• Docker: User build context for all images

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• Toolchain: Upgrade to ELPA 2021.11.002

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Commits on Feb 17, 2022

• grid: Avoid name collision of C-bound procedures

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Commits on Feb 13, 2022

• Docker: Install CP2K from docker build context

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• Docker: Move check of benchmark inputs into test_performance.sh

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• Remove old dockerignore file

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Commits on Feb 7, 2022

• Adjust threshold of H2O-gapw-all_localize_crazy_noortho.inp

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• Shell: Bump version to signify changed LIBXC section

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• precommit: Add simple Makefile formatter

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Commits on Feb 4, 2022

• Docker: Fix convention test

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