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Fixed static analyzer warnings
[alexxy/gromacs.git]
/
src
/
programs
/
2015-07-16
Alexey Shvetsov
Fix build failure in view/filter.cpp
tree
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commitdiff
2015-07-10
Erik Lindahl
Use cmakedefine01 for more trivial defines
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commitdiff
2015-07-09
Erik Lindahl
Merge "Merge release-5-1 into master"
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commitdiff
2015-07-08
Roland Schulz
Merge release-5-1 into master
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commitdiff
2015-07-08
Roland Schulz
Merge release-5-0 into release-5-1
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commitdiff
2015-07-08
Roland Schulz
Merge release-4-6 into release-5-0
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commitdiff
2015-07-04
Teemu Murtola
Remove gmx::File (except for File::exists())
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commitdiff
2015-07-04
Berk Hess
Obey OpenMP thread count limit with tMPI
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commitdiff
2015-07-03
Mark Abraham
Fix ThreadMPI GPU assumptions
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commitdiff
2015-07-02
Teemu Murtola
Clean up gmxfio includes
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commitdiff
2015-07-02
Teemu Murtola
Minor include sorting changes
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commitdiff
2015-06-30
Berk Hess
Fix inconsistent OpenMP automation
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commitdiff
2015-06-30
Berk Hess
Add checks for inefficient resource usage
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commitdiff
2015-06-29
Mark Abraham
Merge branch release-5-0
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commitdiff
2015-06-29
Mark Abraham
Merge release-4-6 into release-5-0
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commitdiff
2015-06-29
Erik Lindahl
Removed gmx protonate tool
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commitdiff
2015-06-29
Berk Hess
Improve DLB+PME tuning with GPUs
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commitdiff
2015-06-27
Berk Hess
Reduce the use of nbnxn_consts.h
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commitdiff
2015-06-27
Berk Hess
Corrected nstcalclr/nstfep/nst_repl_ex checks
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commitdiff
2015-06-27
Erik Lindahl
Merge "Merge release-5-0 into master"
tree
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commitdiff
2015-06-27
Mark Abraham
Merge release-5-0 into master
tree
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commitdiff
2015-06-26
Berk Hess
Fixed Verlet buffer issue with 2-wide SIMD
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commitdiff
2015-06-26
Mark Abraham
Merge release-4-6 into release-5-0
tree
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commitdiff
2015-06-25
Teemu Murtola
Move documentation on tool changes from wiki
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commitdiff
2015-06-25
Mark Abraham
Merge "Merge release-5-0 into master"
tree
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commitdiff
2015-06-25
Mark Abraham
Merge release-5-0 into master
tree
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commitdiff
2015-06-24
Mark Abraham
Merge release-4-6 into release-5-0
tree
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commitdiff
2015-06-20
Erik Lindahl
Handle multidir/multisim with single argument correctly
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commitdiff
2015-06-17
Berk Hess
Refactored pull data structures
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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
Erik Lindahl
Fix segfault with timer reset and -nb cpu
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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
2015-06-11
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
tree
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commitdiff
2015-06-09
Mark Abraham
Merge branch release-4-6 into release-5-0
tree
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commitdiff
2015-06-05
Roland Schulz
Merge release-5-0 into master
tree
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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
2015-05-27
Berk Hess
Refactoring of PME load balancing
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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
2015-05-22
Teemu Murtola
Merge release-5-0 into master
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commitdiff
2015-05-21
Mark Abraham
Add integration test for empty domain
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commitdiff
2015-05-17
Mark Abraham
Merge branch origin/release-5-0
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commitdiff
2015-05-14
Szilard Pall
Merge release-4-6 into release-5-0
tree
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commitdiff
2015-05-10
Mark Abraham
Merge "Merge branch release-5-0"
tree
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commitdiff
2015-05-09
Mark Abraham
Merge branch release-5-0
tree
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commitdiff
2015-05-05
Mark Abraham
Merge release-4-6 into release-5-0
tree
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commitdiff
2015-04-30
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
2015-04-27
Mark Abraham
Clean up remnants in mdrun
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commitdiff
2015-04-22
Berk Hess
Merge branch 'release-5-0'
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commitdiff
2015-04-17
Berk Hess
Correct -ntmpi auto for intel nehalem and older
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commitdiff
2015-04-09
Mark Abraham
Merge branch release-5-0
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commitdiff
2015-04-08
Mark Abraham
Update mdrun Doxygen
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commitdiff
2015-03-19
Berk Hess
Removed reduction of dH/dl without FE
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commitdiff
2015-03-04
Berk Hess
COM pulling options per coord, improved cylinder
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commitdiff
2015-03-03
Mark Abraham
Re-implement gmx tune_pme -cpi
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commitdiff
2015-03-03
Mark Abraham
Move mdrun signalling code
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commitdiff
2015-03-03
Mark Abraham
Add test that plain multi-simulation works
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commitdiff
2015-03-02
Mark Abraham
Run replica-exchange tests with MPI enabled
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commitdiff
2015-03-02
Mark Abraham
Add infrastructure for running MPI integration tests
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commitdiff
2015-02-25
Mark Abraham
Split pme.c into multiple files
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commitdiff
2015-02-13
Mark Abraham
Fix mdrun-only build
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commitdiff
2015-02-13
Teemu Murtola
Make (most) HTML links to file formats work again
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commitdiff
2015-02-13
Teemu Murtola
Replace tool HTML help with Sphinx-generated docs
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commitdiff
2015-02-12
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2015-02-12
Roland Schulz
Merge release-4-6 into release-5-0
tree
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commitdiff
2015-02-04
Mark Abraham
Implement user guide
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commitdiff
2015-02-02
Mark Abraham
Merge branch release-5-0
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commitdiff
2015-02-02
Mark Abraham
Avoid near-silent generation of zero energies
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commitdiff
2015-01-29
Teemu Murtola
Add input file options that accept missing files
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commitdiff
2015-01-20
Mark Abraham
Removed gmx_header_config.h
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commitdiff
2015-01-17
Teemu Murtola
Merge "Merge branch release-5-0"
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commitdiff
2015-01-16
Szilard Pall
Improve and clarify mdrun behavior with nsteps<0
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commitdiff
2015-01-15
Mark Abraham
Merge branch release-5-0
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commitdiff
2015-01-15
Berk Hess
Fix allocation issue with VV integrator
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commitdiff
2015-01-14
Mark Abraham
Remove temporary symlinks from pre-5.0 tool names
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commitdiff
2015-01-09
Mark Abraham
Remove mdrun -testverlet
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commitdiff
2015-01-08
Teemu Murtola
Closed some .xvg files that were being left open
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commitdiff
2015-01-05
Roland Schulz
Enable fp-exceptions
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commitdiff
2014-12-28
Teemu Murtola
Convert gmx-insert-molecules into proper C++ module
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commitdiff
2014-12-17
Roland Schulz
Merge "Merge branch 'release-5-0'"
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commitdiff
2014-12-17
Roland Schulz
Fix cppcheck-1.67 warnings
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commitdiff
2014-12-16
Mark Abraham
Move code to prepare for GPU interface rework
tree
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commitdiff
2014-12-15
Mark Abraham
Merge branch 'release-5-0'
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commitdiff
2014-12-15
Mark Abraham
Removing iteration + constraints framework
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commitdiff
2014-12-13
Mark Abraham
Remove heuristic group-scheme neighbour-list updates
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commitdiff
2014-12-11
Teemu Murtola
Convert gmx rdf to the C++ framework
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commitdiff
2014-12-11
Mark Abraham
Merge release-4-6 into release-5-0
tree
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commitdiff
2014-12-10
Szilard Pall
Fix nstep command line override print
tree
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commitdiff
2014-12-07
Roland Schulz
Merge release-5-0 into master
tree
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commitdiff
2014-12-05
Jiri Kraus
Add optional NVIDIA Management Library (NVML) Integration
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commitdiff
2014-12-05
Mark Abraham
Clean up non-PME part of ewald module
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commitdiff
2014-12-05
Mark Abraham
Move threading support into listed-forces module
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commitdiff
2014-11-27
Mark Abraham
Merge branch release-4-6 into release-5-0
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commitdiff
2014-11-26
Christoph Junghans
Merge release-5-0 into master
tree
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commitdiff
2014-11-26
Roland Schulz
Merge release-5-0 into master
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commitdiff
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