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Fused GPU bonded kernels
[alexxy/gromacs.git]
/
docs
/
2019-06-28
Magnus Lundborg
Fused GPU bonded kernels
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commitdiff
2019-06-24
Szilárd Páll
Only use AVX512 in own-FFTW if GROMACS also uses it
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commitdiff
2019-06-18
Paul Bauer
Extend ISerializer functionality
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commitdiff
2019-05-23
Szilárd Páll
Fix mulitple link refs in dev-manual
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commitdiff
2019-05-22
Mark Abraham
Rewrite starting behavior
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commitdiff
2019-05-22
Mark Abraham
Introduce tri-state enums for restarts
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commitdiff
2019-05-22
Jinke Fan
Add support for Hygon Dhyana processor
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commitdiff
2019-05-16
Pascal Merz
Use Python 3
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commitdiff
2019-05-13
Paul Bauer
Fix math formatting in reference manual
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commitdiff
2019-05-08
Mark Abraham
Provide hook for forks of GROMACS to describe themselves
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commitdiff
2019-05-02
Mark Abraham
Enhance path search functions
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commitdiff
2019-04-25
Paul Bauer
Add Interface to change coordinate file info
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commitdiff
2019-04-25
Mark Abraham
Update style guide about class enums
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commitdiff
2019-04-18
Mark Abraham
Create gmx::compat::optional
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commitdiff
2019-04-17
Berk Hess
Remove group scheme search code
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commitdiff
2019-04-17
Paul Bauer
Create gmx::compat::string_view
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commitdiff
2019-04-16
Mark Abraham
Removed mdrun -gcom
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commitdiff
2019-04-08
M. Eric Irrgang
Remove stale "TODO".
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commitdiff
2019-04-04
Paul Bauer
Update developer guide for changes to Gerrit
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commitdiff
2019-04-03
Mark Abraham
Initial deactivation of group scheme.
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commitdiff
2019-03-28
Artem Zhmurov
GPU naming conventions
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commitdiff
2019-03-20
Mark Abraham
Clean up mdrun help description
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commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
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commitdiff
2019-03-01
Roland Schulz
Improve documentation links
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commitdiff
2019-02-22
Berk Hess
Formalize dynamic pruning with GPU emulation
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commitdiff
2019-02-21
Paul Bauer
Reorganize release notes
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commitdiff
2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
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commitdiff
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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commitdiff
2019-02-20
Paul Bauer
Fix release notes formatting
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commitdiff
2019-02-19
Paul Bauer
Prepare for 2019.2
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commitdiff
2019-02-19
Roland Schulz
Add GMX_OCL_SHOW_DIAGNOSTICS env option
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commitdiff
2019-02-19
Roland Schulz
Improve libstd++ handling
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commitdiff
2019-02-17
Berk Hess
Extract nbnxm grid.h and pairlistwork.h
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commitdiff
2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
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commitdiff
2019-02-15
Semen Yesylevskyy
Fixed misleading wording for membed option.
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commitdiff
2019-02-15
Semen Yesylevskyy
Add new suggested external trajectory analysis tool
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commitdiff
2019-02-15
Paul Bauer
Version 2019.1
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commitdiff
2019-02-15
Paul Bauer
Fix tune_pme
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commitdiff
2019-02-15
Berk Hess
Fix mass Delta H double counting
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commitdiff
2019-02-15
Szilárd Páll
Extend performance considerations on bonded offload
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commitdiff
2019-02-14
Mark Abraham
Fix use of selections referring to index groups
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commitdiff
2019-02-13
Mark Abraham
Improved electric-field docs
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commitdiff
2019-02-09
Berk Hess
Disallow rerun with perturbed masses or constraints
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commitdiff
2019-02-08
Thomas Ullmann
separated .rst documentation of dihedral PCA and hydrog...
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commitdiff
2019-02-07
Szilárd Páll
Require a 64-bit platform for OpenCL
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commitdiff
2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
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commitdiff
2019-02-06
Berk Hess
Fix segfault with EM, DD and group scheme
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commitdiff
2019-02-04
Mark Abraham
Remove SIMD support from group scheme
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commitdiff
2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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commitdiff
2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
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commitdiff
2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
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commitdiff
2019-02-02
Roland Schulz
Add recommendation of how to compile with MPI
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commitdiff
2019-02-01
Berk Hess
Fix incorrect LJ repulsion force switching on GPUs
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commitdiff
2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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commitdiff
2019-01-30
Mark Abraham
Fix release notes issue links
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commitdiff
2019-01-30
Mark Abraham
Fix release notes issue links
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commitdiff
2019-01-28
Mark Abraham
Bump CUDA requirement to 9.0
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commitdiff
2019-01-25
Roland Schulz
Require C++14
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commitdiff
2019-01-25
Mark Abraham
Require clang 3.6
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commitdiff
2019-01-25
Mark Abraham
Bump required gcc compiler to 5.1
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commitdiff
2019-01-25
Mark Abraham
Use native cmake C++11 support
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commitdiff
2019-01-23
Roland Schulz
Merge release-2019 into master
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commitdiff
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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commitdiff
2019-01-23
Berk Hess
Fix error with 2D/3D DLB
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commitdiff
2019-01-22
Paul Bauer
Prepare for 2018.6
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commitdiff
2019-01-22
Paul Bauer
Version 2018.5
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commitdiff
2019-01-21
Szilárd Páll
Add CUDA CC 7.5 (Turing) support with nvcc
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commitdiff
2019-01-21
Mark Abraham
Fix trjconv -ndec
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commitdiff
2019-01-18
Mark Abraham
Disabled internal clFFT when using MSVC with OpenCL
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commitdiff
2019-01-13
Kevin Boyd
Add grompp check for usage of "define" field in mdp
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commitdiff
2019-01-11
Mark Abraham
Fix typo in release notes
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commitdiff
2019-01-10
Mark Abraham
Add more checks for division by zero
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commitdiff
2019-01-08
Mark Abraham
Fix trjconv -ndec
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commitdiff
2019-01-08
Mark Abraham
Simplify reporting of GPU selection
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commitdiff
2019-01-07
Paul Bauer
Reuse Sphinx environment again
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commitdiff
2019-01-07
Mark Abraham
Finish removing group-scheme all-vs-all support
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commitdiff
2019-01-03
Berk Hess
Fix segmentation fault in DD code
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commitdiff
2019-01-02
Mark Abraham
Merge branch release-2019
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commitdiff
2018-12-31
Paul Bauer
Prepare for 2019.1
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commitdiff
2018-12-31
Paul Bauer
GROMACS 2019 release
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commitdiff
2018-12-31
Szilárd Páll
Fix release notes typo
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commitdiff
2018-12-31
Szilárd Páll
Add CUDA CC 7.5 (Turing) support with nvcc
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commitdiff
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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commitdiff
2018-12-27
Paul Bauer
Document OpenCL timer issue.
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commitdiff
2018-12-20
Szilárd Páll
Merge "Merge branch release-2018 into release-2019...
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commitdiff
2018-12-19
Jiannan Liu
Missing factor of 2 in cos-acceleration
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commitdiff
2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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commitdiff
2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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commitdiff
2018-12-17
Paul Bauer
Copy parallelisation info from old webpage
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commitdiff
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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commitdiff
2018-12-14
Berk Hess
Fix LINCS triangle constraining with OpenMP
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commitdiff
2018-12-13
Szilárd Páll
Document the FP exception in cuFFT 7.0
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commitdiff
2018-12-11
Berk Hess
Document mdrun mdp option modification
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commitdiff
2018-12-10
Paul Bauer
Make release notes html only
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commitdiff
2018-12-10
Paul Bauer
Change toctree depth in PDF manual
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commitdiff
2018-12-09
Mark Abraham
Fix POWER8 and POWER9 build
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commitdiff
2018-12-06
boristim
Updates to do_dssp
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commitdiff
2018-12-05
Berk Hess
Add update groups to parallelization docs
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commitdiff
2018-12-05
Berk Hess
Make large PME grids work on GPU
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commitdiff
2018-12-04
David van der Spoel
Removed gmx morph
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commitdiff
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