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fix CPU core oversubscription detection
[alexxy/gromacs.git]
/
src
/
2015-06-21
Szilard Pall
fix CPU core oversubscription detection
tree
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commitdiff
2015-06-19
Roland Schulz
Fix missing include
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commitdiff
2015-06-18
Berk Hess
Reduced the cost of the pull communication
tree
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commitdiff
2015-06-17
Szilard Pall
fix minor CUDA NB kernel performance regression
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commitdiff
2015-06-17
Teemu Murtola
Minor clean up for refdata.*
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commitdiff
2015-06-17
Teemu Murtola
Improve logic for automatic selection names
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commitdiff
2015-06-17
Berk Hess
Refactored pull data structures
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commitdiff
2015-06-16
Erik Lindahl
Fix CUDA version info in NVML application clock warning
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commitdiff
2015-06-16
Erik Lindahl
Add membrane embedding docs
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commitdiff
2015-06-16
Berk Hess
Added missing DD cycle counting
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commitdiff
2015-06-16
Mark Abraham
Move code for managing mdrun -cpi and -append
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commitdiff
2015-06-16
Berk Hess
Automated the -gpu_id option
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commitdiff
2015-06-16
Erik Lindahl
Fix segfault with timer reset and -nb cpu
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commitdiff
2015-06-16
Erik Lindahl
Avoid warning about affinity on Blue Gene, reduce warnings
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commitdiff
2015-06-16
Mark Abraham
Add unit tests for ArrayRef
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commitdiff
2015-06-16
Roland Schulz
Fix consts in bonded and clincs
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commitdiff
2015-06-15
Erik Lindahl
Fix OS X FFTW build failures introduced 86a772
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commitdiff
2015-06-15
Erik Lindahl
Fixed SIMD detection and flags common for IBM archs
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commitdiff
2015-06-15
Rossen Apostolov
Building own fftw now uses version 3.3.4
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commitdiff
2015-06-14
Berk Hess
Refactored mdrun resource division
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commitdiff
2015-06-13
Berk Hess
Hardware reporting now covers all nodes
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commitdiff
2015-06-12
Mark Abraham
Fix commandline test data
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commitdiff
2015-06-12
Teemu Murtola
Update help output
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commitdiff
2015-06-12
Magnus Lundborg
TNG version 1.7.6
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commitdiff
2015-06-12
Teemu Murtola
Improve Jenkins docs build
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commitdiff
2015-06-11
Mark Abraham
Handle timing better in Jenkins
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commitdiff
2015-06-11
Mark Abraham
Clean up vsite interaction clean-up code
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commitdiff
2015-06-09
Teemu Murtola
Add description of relocatable binaries
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commitdiff
2015-06-09
Teemu Murtola
Resolve one TODO for command line help tests
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commitdiff
2015-06-09
Teemu Murtola
Improve user guide text for command line interface
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commitdiff
2015-06-07
Erik Lindahl
Fix out-of-range integer literals for threefry
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commitdiff
2015-06-06
Szilard Pall
Optimize atomic accumulation in CUDA NB kernel
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commitdiff
2015-06-05
Roland Schulz
Merge release-5-0 into master
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commitdiff
2015-06-05
Roland Schulz
Reenable lincs/bonded SIMD for ICC on Windows
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commitdiff
2015-06-05
Mark Abraham
Remove gmx_simd_check_and_reset_overflow
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commitdiff
2015-06-05
Berk Hess
Don't use PME ranks with GPUs and -npme=-1
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commitdiff
2015-06-04
Mark Abraham
Fix naming from "Gromacs" to "GROMACS"
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commitdiff
2015-06-04
Teemu Murtola
Fix potential FPE in selection tests
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commitdiff
2015-06-04
Teemu Murtola
Refactor rst parsing for console output
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commitdiff
2015-06-04
Teemu Murtola
Replace gromacs.7 man page with gmx.1
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commitdiff
2015-06-04
Teemu Murtola
Document current help formatting
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commitdiff
2015-06-04
Teemu Murtola
Basic support for titles within tool help
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commitdiff
2015-06-04
Teemu Murtola
Support rst tables in tool help texts
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commitdiff
2015-06-03
Roland Schulz
Use stack buffer for LINCS&bonded gather/scatter
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commitdiff
2015-06-02
Rossen Apostolov
Converted random module to C++.
tree
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commitdiff
2015-05-30
Roland Schulz
Work-around for ICC 15 on Phi
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commitdiff
2015-05-28
Teemu Murtola
Improve lists in user guide for selections
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commitdiff
2015-05-28
Teemu Murtola
Additional selection examples
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commitdiff
2015-05-27
Berk Hess
Refactoring of PME load balancing
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commitdiff
2015-05-27
Mark Abraham
Fix warnings from GCC 5
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commitdiff
2015-05-27
Rossen Apostolov
Converted pulling code to C++.
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commitdiff
2015-05-26
Mark Abraham
Avoid possible floating-point exception
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commitdiff
2015-05-26
Mark Abraham
Convert ewald module to C++
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commitdiff
2015-05-26
Mark Abraham
Fix use of hard-coded temporary filename
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commitdiff
2015-05-25
Teemu Murtola
Overview docs for analysis nbsearch
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commitdiff
2015-05-24
Teemu Murtola
Include selection keyword details in user guide
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commitdiff
2015-05-23
Mark Abraham
Fix misuse of gmx_simd_check_and_reset_overflow
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commitdiff
2015-05-23
Berk Hess
Removed static from variables in gmx_lapack
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commitdiff
2015-05-22
Teemu Murtola
Allow any order for sections in 'gmx help -export'
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commitdiff
2015-05-22
Teemu Murtola
Base to get all 'gmx help' contents to user guide
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commitdiff
2015-05-22
Teemu Murtola
Merge release-5-0 into master
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commitdiff
2015-05-22
Teemu Murtola
Avoid crash with empty reference for 'same as' selection
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commitdiff
2015-05-22
Teemu Murtola
Add subsection depth to HelpWriterContext
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commitdiff
2015-05-22
Teemu Murtola
Add note about atom order in selections
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commitdiff
2015-05-21
Teemu Murtola
Restructure CommandLineModuleManager tests
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commitdiff
2015-05-21
Mark Abraham
Add integration test for empty domain
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commitdiff
2015-05-20
Teemu Murtola
Fix handling of real-valued 'to' selection ranges
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commitdiff
2015-05-20
Teemu Murtola
Some tests for 'gmx help -export rst'
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commitdiff
2015-05-19
Mark Abraham
Add checks for correct use of SIMD headers.
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commitdiff
2015-05-19
Mark Abraham
Refactor FFTW setup
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commitdiff
2015-05-18
Teemu Murtola
Merge "Merge branch origin/release-5-0"
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commitdiff
2015-05-17
Erik Lindahl
Added hacks for SIMD rvec/load store in lincs & bondeds
tree
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commitdiff
2015-05-17
Teemu Murtola
Move a few defines to buildinfo.h
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commitdiff
2015-05-17
Mark Abraham
Merge branch origin/release-5-0
tree
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commitdiff
2015-05-16
Berk Hess
LINCS thread tasks can now be independent
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commitdiff
2015-05-16
Mark Abraham
Suppress GCC5 warnings with internal Boost
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commitdiff
2015-05-16
Magnus Lundborg
TNG version 1.7.5
tree
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commitdiff
2015-05-16
Alexey Shvetsov
Make bond-atomtypes case sensitive
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commitdiff
2015-05-15
Szilard Pall
Assert the size of non-bonded GPU work units
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commitdiff
2015-05-14
Mark Abraham
Fix own-FFTW build
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commitdiff
2015-05-14
Szilard Pall
Merge release-4-6 into release-5-0
tree
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commitdiff
2015-05-13
Berk Hess
Fixed CUDA error with empty domains
tree
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commitdiff
2015-05-13
Berk Hess
Fix segv in g_covar
tree
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commitdiff
2015-05-12
Mark Abraham
Fix uninitialized fields in grompp t_state
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commitdiff
2015-05-12
Jochen Hub
OpenMP parallelization of g_wham
tree
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commitdiff
2015-05-11
Mark Abraham
Work around gcc 5 warnings with Google Test
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commitdiff
2015-05-10
Mark Abraham
Merge "Merge branch release-5-0"
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commitdiff
2015-05-10
Teemu Murtola
Move some testutils and overview docs to dev guide
tree
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commitdiff
2015-05-09
Mark Abraham
Merge branch release-5-0
tree
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commitdiff
2015-05-06
Mark Abraham
Fixed recently-introduced couple-lambda warning message
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commitdiff
2015-05-06
Szilárd Páll
Merge "Merge release-4-6 into release-5-0" into release-5-0
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commitdiff
2015-05-05
Mark Abraham
Merge release-4-6 into release-5-0
tree
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commitdiff
2015-05-05
Teemu Murtola
Avoid rounding errors affecting results in one test
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commitdiff
2015-05-05
Justin Lemkul
Fix for trjconv preserving box dimensions.
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commitdiff
2015-05-04
Berk Hess
Fixed GPU non-local F copy local conditional
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commitdiff
2015-04-30
Olivier Fisette
Fix error handling in gmx_tmpnam
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commitdiff
2015-04-30
Michael Shirts
Fix for rarely occuring replica exchange error.
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commitdiff
2015-04-30
Mark Abraham
Move GPU implementation to new interface
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commitdiff
2015-04-28
Berk Hess
Re-enabled FMA for AVX-128-FMA
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commitdiff
2015-04-28
Mark Abraham
Add application-clock NVML-based support for Quadro...
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commitdiff
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