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Disable PME Mixed mode with FEP
[alexxy/gromacs.git]
/
src
/
gromacs
/
ewald
/
pme.cpp
2021-10-18
Andrey Alekseenko
Disable PME Mixed mode with FEP
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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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-2020' into merge-2020...
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-08
Andrey Alekseenko
Activate SYCL build on CI
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-04
Erik Lindahl
Simplified uniform GPU selection in CMake
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2020-07-20
Magnus Lundborg
Two sets of coefficients for Coulomb FEP PME on GPU
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2020-06-05
Artem Zhmurov
Make a error message less confusing
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2020-06-04
Artem Zhmurov
Make a error message less confusing
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2020-05-07
Berk Hess
Avoid warning during PME tuning
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-03-25
Artem Zhmurov
Make use of the DeviceStreamManager
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2020-03-05
Mark Abraham
Simplify PME step workload management
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2020-03-04
Paul Bauer
Merge "Merge branch release-2020 into master"
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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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2020-02-06
Artem Zhmurov
Move DeviceInfo into GPU traits
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2020-02-05
Berk Hess
Actually fix PME forces with FE without perturbed q/LJ
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2020-02-04
Berk Hess
Actually fix PME forces with FE without perturbed q/LJ
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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2020-01-09
Mark Abraham
Clean up ewald module internals
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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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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-16
Szilárd Páll
Fix initialization of field in PME data structure
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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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2019-08-15
Szilárd Páll
Fix OpenCL gather reduction
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2019-08-01
Mark Abraham
Merge "Merge release-2019 into master"
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-02
Kevin Boyd
Remove references to ecutsGROUP
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2019-06-20
Berk Hess
Remove unnecessary #if GMX_MPI in pme code
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2019-06-19
Szilárd Páll
Disable PME GPU on Apple OpenCL
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2019-06-19
Berk Hess
Refactor PME atom handling
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-14
Berk Hess
Make all do_force_lowlevel() input const
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-15
Mark Abraham
Improved diagnostics when PME cannot run on GPUs
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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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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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2018-12-03
Mark Abraham
Move responsibility for PME reduction to its module
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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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2018-11-05
Mark Abraham
Make PME OpenCL enabled only for AMD devices
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2018-10-26
Mark Abraham
Merge "Merge branch release-2018 into release-2019...
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-13
Aleksei Iupinov
Add and enable PME OpenCL
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2018-09-29
Mark Abraham
Remove NVML support
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2018-09-10
Berk Hess
Fix PME forces with FE without perturbed q/LJ
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2018-09-10
Roland Schulz
Replace rounding using int(x+0.5) with roundToInt
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2018-09-07
Magnus Lundborg
Check q perturbation when PME on GPU is tested
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2018-09-06
Roland Schulz
Change CanBePinned to PinnedIfSupported
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Berk Hess
Merge "Merge branch release-2018"
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-08-18
Roland Schulz
readability-implicit-bool-conversion 2/2
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2018-08-18
Roland Schulz
clang-tidy modernize
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2018-08-12
Roland Schulz
3/3 of old-style casting
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2018-08-08
Roland Schulz
Fix part of old-style casting
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2018-08-06
Roland Schulz
Change gmx_bool from int to bool
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-07-04
Roland Schulz
Enable more warnings for Clang 6
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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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2018-06-29
Roland Schulz
clang-tidy: add modernize nullptr & emplace
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2018-06-14
Aleksei Iupinov
Ensure PME with OpenCL does not attempt to pin
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2018-05-28
Aleksei Iupinov
Support persistent device context-derived data in PME...
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2018-05-23
Mark Abraham
Clean up PME testing
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2018-05-15
Berk Hess
Clean up PME domain count passing
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-12
Mark Abraham
Remove use of where(), if DEBUG etc.
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2018-04-12
Aleksei Iupinov
Stop PME GPU code from compiling on non-CUDA builds
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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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2018-03-13
Mark Abraham
Add more const to uses of t_commrec and t_inputrec
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2018-03-13
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-07
Berk Hess
Fix memory leak in PME
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2018-03-06
Mark Abraham
Merge branch release-2018
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2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Merge branch release-2018 into master
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-09
Mark Abraham
Merge branch release-2018
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