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Add DSSP v4 support to do_dssp
[alexxy/gromacs.git]
/
src
/
config.h.cmakein
2021-11-01
Szilárd Páll
Fix hipSYCL build with CUDA target
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2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-28
Gaurav Garg
Add HeFFTe based FFT backend
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2021-09-16
Mark Abraham
Eliminate GMX_MIMIC symbol from source code
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2021-09-16
Andrey Alekseenko
Add SYCL compiler and MKL versions
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-31
Paul Bauer
Revert "Revert "Add muparser and CMake handling""
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-07-30
Szilárd Páll
Only define GMX_SYCL_DPCPP macro in SYLC builds
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-03-26
Szilárd Páll
Allow setting nbnxm cluster size for SYCL
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2021-03-23
Gaurav Garg
Detect CUDA-aware support in underlying MPI implementation
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2021-03-08
Mark Abraham
Revert "Use std::aligned_alloc"
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-03-02
Mark Abraham
Use std::aligned_alloc
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2021-03-02
Andrey Alekseenko
Set up build with hipSYCL
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-02-05
Paul Bauer
Fix clang-tidy-11 for domdec and utility
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2021-02-05
Mark Abraham
Remove VMX SIMD
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2021-02-04
Mark Abraham
Remove support for ARMv7 and NEON
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2021-02-02
Mark Abraham
Remove support for Fujitsu Sparc64 HPC-ACE
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2021-02-01
Mark Abraham
Remove x86 MIC support
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2021-01-31
Mark Abraham
Require MPI 2.0
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-11-13
Gilles Gouaillardet
Detect ARM SVE Vector length if possible
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-19
Paul Bauer
Revert "Add muparser and CMake handling"
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-05
Paul Bauer
Add muparser and CMake handling
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2020-10-01
Gilles Gouaillardet
cmake: use simd support for ARM+SVE
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-13
Erik Lindahl
CMake SYCL & Intel OpenMP handling
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2020-08-04
Erik Lindahl
Simplified uniform GPU selection in CMake
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2020-07-29
Kevin Boyd
Fix undefined behavior flagged by UBSAN
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2020-07-27
Mark Abraham
Fix RDTSCP handling
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2020-06-26
Paul Bauer
Make DSSP default path configurable
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-16
Mark Abraham
Introduce GMX_USE_SIMD_KERNELS cmake option
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2020-03-16
Christian Blau
Remove dysfunctional QMMM interface pt4
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Mark Abraham
Split lines with many copyright years
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-28
Mark Abraham
Remove GMX_CYCLECOUNTERS
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-13
Paul Bauer
Check for using correct hwloc headers and runtime
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2019-11-30
Paul Bauer
Merge origin/release-2020 into master
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-28
Paul Bauer
Check for using correct hwloc headers and runtime
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-09-27
Mark Abraham
Stop checking CUDA version reported by nvcc
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-04-10
Mark Abraham
Reform IMD module
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-25
Mark Abraham
Unify regex implementation
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2019-01-23
Roland Schulz
Merge release-2019 into master
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2019-01-02
Mark Abraham
Merge branch release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-22
Szilárd Páll
Runtime check of device OpenCL support
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2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-27
Szilárd Páll
Add tweaks to support ARMPL for FFTs
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
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2018-11-16
Roland Schulz
Merge release-2019 into master
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2018-10-30
Mark Abraham
Rename to GMX_OPENCL_NB_CLUSTER_SIZE
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-09
Viacheslav Bolnykh
Implemented changes to preprocessor to work with MiMiC...
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2018-10-04
Berk Hess
Make AVX2 pass TSAN
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2018-09-29
Mark Abraham
Remove NVML support
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2018-09-28
Mark Abraham
Make some symbols in gmxpre-config.h always defined
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2018-09-11
Roland Schulz
Compile nonbonded kernels as C++
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-07-06
Mark Abraham
Merge "Merge release-2018 into master"
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-06-13
Mark Abraham
Bump lmfit support to version 7
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2018-06-06
Erik Lindahl
Use default CMake path variables
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2018-05-23
Roland Schulz
Rename GMX_OCL_CLUSTER_SIZE to GMX_OCL_NB_CLUSTER_SIZE
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2018-05-15
Roland Schulz
Allow OCL CL_SIZE to be set to 4 for Intel
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-13
Szilárd Páll
Use trivalue option for GMX_HWLOC
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-03-28
Mark Abraham
Merge branch release-2018
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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