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Don't require g++ for clang to compile
[alexxy/gromacs.git]
/
cmake
/
2021-10-06
Mark Abraham
Don't require g++ for clang to compile
tree
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commitdiff
2021-10-01
Andrey Alekseenko
SYCL: 3D FFT using oneMKL
tree
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commitdiff
2021-09-28
Mark Abraham
Build internal muparser more simply
tree
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commitdiff
2021-09-24
Gaurav Garg
Fix compilation issues with master branch when OpenMPI...
tree
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commitdiff
2021-09-23
Dmitry Morozov
Added QMMMForceProvider class for QMMM MdModule
tree
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commitdiff
2021-09-21
Mark Abraham
Find MPI quietly on second pass
tree
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commitdiff
2021-09-16
Andrey Alekseenko
Minor fixes to comments and Doxygen
tree
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-09-13
M. Eric Irrgang
Simplify MPI implementation checks.
tree
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commitdiff
2021-09-13
Dmitry Morozov
Added CP2K related options to CMake files
tree
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commitdiff
2021-09-13
M. Eric Irrgang
Allow flexible requirements for gmxManageMPI.cmake
tree
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commitdiff
2021-09-12
M. Eric Irrgang
Remove MPI_LINKER_FLAGS.
tree
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commitdiff
2021-09-12
M. Eric Irrgang
Always call `find_package(MPI)`.
tree
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commitdiff
2021-09-12
M. Eric Irrgang
Normalize indentation.
tree
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commitdiff
2021-09-10
Mark Abraham
Fix GMX_VERSION_STRING_OF_FORK with REGRESSIONTEST_DOWNLOAD
tree
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commitdiff
2021-09-06
Mark Abraham
Use latest cmake for ASAN configuration
tree
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commitdiff
2021-08-31
Paul Bauer
Revert "Revert "Add muparser and CMake handling""
tree
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commitdiff
2021-08-25
Mark Abraham
Find rocFFT for hipSYCL build when targeting AMD devices
tree
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commitdiff
2021-08-19
Andrey Alekseenko
Revert "Add workaround for CorrelationsTest with Intel...
tree
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-18
Sebastian Wingbermuhle
Prepares for the branch GROMACS 2021.4
tree
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commitdiff
2021-08-18
Sebastian Wingbermuhle
Prepares for the GROMACS 2021.3 release
tree
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commitdiff
2021-08-17
Andrey Alekseenko
Add workaround for CorrelationsTest with Intel ICPX
tree
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commitdiff
2021-08-11
Andrey Alekseenko
Fix few issues with open-source Intel LLVM (Clang 13)
tree
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commitdiff
2021-08-11
Andrey Alekseenko
Add hipSYCL sanity check
tree
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commitdiff
2021-07-29
Mark Abraham
Check nvcc accepts flags before using them
tree
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commitdiff
2021-07-02
Berk Hess
Revert "GROMACS 2021.3 release"
tree
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commitdiff
2021-07-01
Berk Hess
GROMACS 2021.3 release
tree
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
tree
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commitdiff
2021-06-24
M. Eric Irrgang
Require Python 3.7 for gmxapi in GROMACS 2022
tree
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commitdiff
2021-06-18
Mark Abraham
Suppressed -Wold-style-cast for clang as nvcc host...
tree
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commitdiff
2021-06-17
Mark Abraham
Rework -Weverything
tree
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commitdiff
2021-06-04
Szilárd Páll
Require CUDA 11.0
tree
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commitdiff
2021-05-30
Andrey Alekseenko
Disable false-positive warnings for ICPX 2021.2.0
tree
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commitdiff
2021-05-18
Andrey Alekseenko
Fix CMake 3.20 warnings when compiling with IntelLLVM
tree
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commitdiff
2021-05-18
Roland Schulz
Fix build with clang-cuda
tree
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commitdiff
2021-05-10
Paul Bauer
Make python check if modules are available for checksumming
tree
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
tree
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commitdiff
2021-05-05
Paul Bauer
Prepare branch for 2021.2 point release
tree
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commitdiff
2021-05-05
Paul Bauer
GROMACS 2021.2 release
tree
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commitdiff
2021-05-05
Roland Schulz
Fix compile with IntelLLVM and cmake 3.20
tree
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commitdiff
2021-04-11
Roland Schulz
Fix compile with Intel oneAPI 2021.2
tree
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commitdiff
2021-03-26
Paul Bauer
Change logic for checksumming availability
tree
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commitdiff
2021-03-26
Szilárd Páll
Allow setting nbnxm cluster size for SYCL
tree
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commitdiff
2021-03-23
Gaurav Garg
Detect CUDA-aware support in underlying MPI implementation
tree
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commitdiff
2021-03-08
Paul Bauer
Prepare branch for 2021.2 point release
tree
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commitdiff
2021-03-08
Paul Bauer
GROMACS 2021.1 release
tree
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commitdiff
2021-03-08
Mark Abraham
Revert "Use std::aligned_alloc"
tree
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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commitdiff
2021-03-03
Paul Bauer
GROMACS 2020.6 release
tree
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commitdiff
2021-03-02
Mark Abraham
Use std::aligned_alloc
tree
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commitdiff
2021-03-02
Andrey Alekseenko
Set up build with hipSYCL
tree
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commitdiff
2021-02-18
Paul Bauer
Update CMake requirement to 3.16.3
tree
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commitdiff
2021-02-17
Andrey Alekseenko
Add -DGMX_SYCL_HIPSYCL cmake option
tree
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commitdiff
2021-02-16
Andrey Alekseenko
Add support for Clang-CUDA 11.x and a post-merge CI...
tree
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commitdiff
2021-02-16
Andrey Alekseenko
Add container with LLVM 11, CUDA 11.2.1, hipSYCL
tree
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commitdiff
2021-02-15
Andrey Alekseenko
Rework SYCL CMake machinery to be compatible with hipSYCL
tree
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
tree
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commitdiff
2021-02-12
Mark Abraham
Improve CUDA codegen flags
tree
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commitdiff
2021-02-09
Andrey Alekseenko
SYCL compilation and code compatibility changes
tree
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commitdiff
2021-02-05
Mark Abraham
Remove VMX SIMD
tree
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commitdiff
2021-02-04
Mark Abraham
Remove support for ARMv7 and NEON
tree
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commitdiff
2021-02-03
Andrey Alekseenko
Initialize rollingPruningNumParts in init_plist
tree
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commitdiff
2021-02-03
Mark Abraham
Remove support for Intel classic compiler
tree
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commitdiff
2021-02-02
Mark Abraham
Remove support for Fujitsu Sparc64 HPC-ACE
tree
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commitdiff
2021-02-02
Mark Abraham
Fix compiler-version checks for C++17 requirements
tree
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commitdiff
2021-02-01
Mark Abraham
Remove x86 MIC support
tree
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commitdiff
2021-02-01
Mark Abraham
Replace gmx::Mutex with std::mutex
tree
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commitdiff
2021-01-31
Mark Abraham
Require MPI 2.0
tree
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commitdiff
2021-01-29
Szilárd Páll
Improve CUDA codegen flags
tree
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commitdiff
2021-01-29
Roland Schulz
Use cxx mpi
tree
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2021-01-29
Paul Bauer
Prepare for first 2021 patch release
tree
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commitdiff
2021-01-28
Paul Bauer
GROMACS 2021 release
tree
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commitdiff
2021-01-20
Paul Bauer
Use correct python interpreter cmake check
tree
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commitdiff
2021-01-20
Paul Bauer
Fix checksumming code
tree
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commitdiff
2021-01-11
Mark Abraham
Remove mdrun-only build configuration
tree
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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commitdiff
2021-01-07
Paul Bauer
Write copyright output files as utf8
tree
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commitdiff
2021-01-07
Christian Blau
Prepare for GROMACS 2020.6
tree
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commitdiff
2021-01-06
Christian Blau
GROMACS version 2020.5
tree
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commitdiff
2020-12-31
Szilárd Páll
Bump version post-release to rc2
tree
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commitdiff
2020-12-30
Szilárd Páll
GROMACS 2021-rc1 release candidate
tree
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2020-12-15
Mark Abraham
Update deprecation statuses
tree
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commitdiff
2020-12-09
Mark Abraham
Fix compilation and tests with icc 19.1.2
tree
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commitdiff
2020-12-02
Paul Bauer
Third GROMACS 2021 beta release
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
tree
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commitdiff
2020-11-13
Gilles Gouaillardet
Detect ARM SVE Vector length if possible
tree
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commitdiff
2020-11-12
Paul Bauer
Restore correct dynamics linking behaviour
tree
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commitdiff
2020-11-11
Paul Bauer
Second GROMACS 2021 beta release
tree
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commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
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commitdiff
2020-11-05
Mark Abraham
Improve issues with CUDA interacting with std flags
tree
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commitdiff
2020-10-24
Szilárd Páll
Exclude CUDA 10.2 as well from C++17 compilation
tree
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commitdiff
2020-10-23
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2020-10-22
Paul Bauer
Fix propagating flags for Intel + Windows
tree
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commitdiff
2020-10-22
Paul Bauer
Fix static linking with MSVC
tree
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commitdiff
2020-10-22
Mark Abraham
Compile host code with c++14 where needed
tree
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commitdiff
2020-10-22
Paul Bauer
Prepare master for 2022
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commitdiff
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