BioD PNPI Git Repos - alexxy/gromacs.git/shortlog

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2014-05-13	Mark Abraham	Prohibit AVX_256 with buggy gcc 4.6.1	commit \| commitdiff \| tree \| snapshot
2014-05-09	Alexey Shvetsov	Fix clang 3.5 warnings regarding abs	commit \| commitdiff \| tree \| snapshot
2014-05-05	Pino Toscano	cmake: enable shared libraries by default on Hurd	commit \| commitdiff \| tree \| snapshot
2014-04-29	Berk Hess	Removed truncation of nrdf in v-rescale thermostat	commit \| commitdiff \| tree \| snapshot
2014-04-22	Roland Schulz	Fix memory error in asc format IO	commit \| commitdiff \| tree \| snapshot
2014-04-21	Michael Shirts	Issue warnings for potential switch w/o defining switch...	commit \| commitdiff \| tree \| snapshot
2014-04-09	Carlo Camilloni	Fixed g_rmsdist NOE calculation	commit \| commitdiff \| tree \| snapshot
2014-04-07	Mark Abraham	Fix invalid dereference in g_tune_pme	commit \| commitdiff \| tree \| snapshot
2014-04-07	Erik Lindahl	Make sure water optimization is disabled for esoteric...	commit \| commitdiff \| tree \| snapshot
2014-03-24	Berk Hess	Adds cut-off checks for triclinic domain decomposition	commit \| commitdiff \| tree \| snapshot
2014-03-23	Berk Hess	Fixed bug in parallel v/f constraining	commit \| commitdiff \| tree \| snapshot
2014-03-17	Mark Abraham	House-keeping for MTTK	commit \| commitdiff \| tree \| snapshot
2014-03-14	Carsten Kutzner	Avoid cross product with zero vector in rotational...	commit \| commitdiff \| tree \| snapshot
2014-03-14	Carsten Kutzner	The van der Waals radius must equal the Coulomb radius...	commit \| commitdiff \| tree \| snapshot
2014-03-02	Teemu Murtola	Fix incorrect grid cell size in g_sas -nopbc	commit \| commitdiff \| tree \| snapshot
2014-03-01	Mark Abraham	Add fatal error for Andersen+constraints+DD	commit \| commitdiff \| tree \| snapshot
2014-02-28	Szilard Pall	Improved CUDA non-bonded kernel performance	commit \| commitdiff \| tree \| snapshot
2014-02-24	Mark Abraham	Permit warning-free use of Andersen thermostat	commit \| commitdiff \| tree \| snapshot
2014-02-21	Szilard Pall	portability aspects in install guide + minor tweaks	commit \| commitdiff \| tree \| snapshot
2014-02-21	Mark Abraham	Reinstate shell code with DD	commit \| commitdiff \| tree \| snapshot
2014-02-20	Christoph Junghans	added gmx_is_{single,double}_precision	commit \| commitdiff \| tree \| snapshot
2014-02-20	Roland Schulz	Fix aligned store to unaligned memory	commit \| commitdiff \| tree \| snapshot
2014-02-20	Mark Abraham	avoid mdrun crash when rdtscp is not supported	commit \| commitdiff \| tree \| snapshot
2014-02-11	Jan Henning...	Added safety check for fitting group in anaeig.	commit \| commitdiff \| tree \| snapshot
2014-02-08	Mark Abraham	Issue fatal errors rather than use broken shell code	commit \| commitdiff \| tree \| snapshot
2014-02-03	Christoph Junghans	cmake eats slashes	commit \| commitdiff \| tree \| snapshot
2014-01-29	Mark Abraham	Keep clang Address Sanitizer happy	commit \| commitdiff \| tree \| snapshot
2014-01-28	Christoph Junghans	cmake: added FFTW_URL to allow easy offline build	commit \| commitdiff \| tree \| snapshot
2014-01-28	Mark Abraham	Remove unused fplog	commit \| commitdiff \| tree \| snapshot
2014-01-28	Mark Abraham	Unify logic for timing counts	commit \| commitdiff \| tree \| snapshot
2014-01-28	Szilárd Páll	clarified OpenMP-related things in mdrun help/man	commit \| commitdiff \| tree \| snapshot
2014-01-09	David van der...	Fixed precision in thermal expansion coefficient calc.	commit \| commitdiff \| tree \| snapshot
2014-01-08	Peter Kasson	Checkpointing fix for Native Client	commit \| commitdiff \| tree \| snapshot
2013-12-29	Peter Kasson	Patch for Native Client builds.	commit \| commitdiff \| tree \| snapshot
2013-12-29	Christoph Junghans	cmake: make GMX_BUILD_OWN_FFTW work without fortran...	commit \| commitdiff \| tree \| snapshot
2013-12-26	Carsten Kutzner	Pass on default value of radstep in make_edi	commit \| commitdiff \| tree \| snapshot
2013-12-25	Carsten Kutzner	Essential dynamics: move bNeedDoEdsam evaluation to...	commit \| commitdiff \| tree \| snapshot
2013-12-23	Carsten Kutzner	Fixed essential dynamics (ED) continuation from .cpt...	commit \| commitdiff \| tree \| snapshot
2013-12-23	David van der...	Fixed compilation issue due to gcc4.8	commit \| commitdiff \| tree \| snapshot
2013-12-19	Mark Abraham	Fix non-critical typo in #ifdef GMX_OMPEN_MP	commit \| commitdiff \| tree \| snapshot
2013-12-02	Mark Abraham	Version bump after 4.6.5 release	commit \| commitdiff \| tree \| snapshot
2013-12-02	Mark Abraham	Version bumps before release	commit \| commitdiff \| tree \| snapshot
2013-11-26	Berk Hess	Fixed return value of gmx_mtop_bondeds_free_energy	commit \| commitdiff \| tree \| snapshot
2013-11-19	Szilárd Páll	Fix DD load balancing bug with GPU sharing	commit \| commitdiff \| tree \| snapshot
2013-11-19	Mark Abraham	Fix incorrect variable name in documentation	commit \| commitdiff \| tree \| snapshot
2013-11-15	Berk Hess	corrected potential nbnxn SIMD memory issue	commit \| commitdiff \| tree \| snapshot
2013-11-13	Mark Abraham	Bump version after 4.6.4 release	commit \| commitdiff \| tree \| snapshot
2013-11-13	Mark Abraham	Fix minor things before release	commit \| commitdiff \| tree \| snapshot
2013-11-13	Szilard Pall	Clarified GPU selection output and mdrun help	commit \| commitdiff \| tree \| snapshot
2013-11-12	Roland Schulz	Added rotation to the tests run by ctest	commit \| commitdiff \| tree \| snapshot
2013-11-08	Berk Hess	fix nbnxn atom sorting with distant bondeds	commit \| commitdiff \| tree \| snapshot
2013-11-07	Berk Hess	corrected dynamic load balancing when sharing GPUs	commit \| commitdiff \| tree \| snapshot
2013-11-06	Szilard Pall	enable GPU sharing among tMPI ranks	commit \| commitdiff \| tree \| snapshot
2013-11-05	Berk Hess	GPU detection is done once per physical node	commit \| commitdiff \| tree \| snapshot
2013-11-05	Berk Hess	removed (harmless) left-over in nbnxn SIMD kernels	commit \| commitdiff \| tree \| snapshot
2013-10-31	Berk Hess	reorganized GPU detection and selection	commit \| commitdiff \| tree \| snapshot
2013-10-31	Mark Abraham	Rename GMX_IS_* to GMX_TARGET_*	commit \| commitdiff \| tree \| snapshot
2013-10-29	Berk Hess	corrected volume with serial NPT replica exchange	commit \| commitdiff \| tree \| snapshot
2013-10-28	Berk Hess	improved the nbnxn buffer size estimate with GPUs	commit \| commitdiff \| tree \| snapshot
2013-10-26	Roland Schulz	Fix NBNxN SIMD reference kernels	commit \| commitdiff \| tree \| snapshot
2013-10-22	Berk Hess	fixed recent bug with CUDA texture objects	commit \| commitdiff \| tree \| snapshot
2013-10-22	Berk Hess	fixed OpenMP threads being pinned to the same cores	commit \| commitdiff \| tree \| snapshot
2013-10-18	Mark Abraham	BlueGene/Q Verlet cut-off scheme kernels	commit \| commitdiff \| tree \| snapshot
2013-10-18	Mark Abraham	Call atomics from TestAtomic.c	commit \| commitdiff \| tree \| snapshot
2013-10-18	Roland Schulz	Fix tMPI_Atomic_memory_barrier for MIC	commit \| commitdiff \| tree \| snapshot
2013-10-17	Mark Abraham	Fix typo in g_membed documentation	commit \| commitdiff \| tree \| snapshot
2013-10-17	Roland Schulz	Fix SIMD C reference nbnxn kernels	commit \| commitdiff \| tree \| snapshot
2013-10-17	Michael Shirts	Restarting from checkpoint no longer reinitializes...	commit \| commitdiff \| tree \| snapshot
2013-10-16	Berk Hess	avoid division by zero in SIMD angles and dihedrals	commit \| commitdiff \| tree \| snapshot
2013-10-16	Michael Shirts	turning off expanded ensemble for all integrators but...	commit \| commitdiff \| tree \| snapshot
2013-10-16	Berk Hess	fixed a half bin misalignment in gmx_vanhove -or	commit \| commitdiff \| tree \| snapshot
2013-10-16	Michael Shirts	Fixes a problem with pair type 2 interactions with...	commit \| commitdiff \| tree \| snapshot
2013-10-15	Szilard Pall	make use of CUDA stream priorities	commit \| commitdiff \| tree \| snapshot
2013-10-14	Szilard Pall	use CUDA texture objects when supported	commit \| commitdiff \| tree \| snapshot
2013-10-11	Berk Hess	introduced general 4-wide SIMD support	commit \| commitdiff \| tree \| snapshot
2013-10-10	Berk Hess	fixed nbnxn 4x8 pair search without AVX	commit \| commitdiff \| tree \| snapshot
2013-10-03	Christoph Junghans	Fix parallel build for GMX_BUILD_OWN_FFTW	commit \| commitdiff \| tree \| snapshot
2013-10-02	Berk Hess	Fixes reaction field free energy bug	commit \| commitdiff \| tree \| snapshot
2013-10-01	Mark Abraham	Silence clang warnings	commit \| commitdiff \| tree \| snapshot
2013-09-29	Szilard Pall	allow compilation to optimize for CUDA compute cap...	commit \| commitdiff \| tree \| snapshot
2013-09-29	Jarvist Moore...	Corrected info text. -center --> -boxcenter	commit \| commitdiff \| tree \| snapshot
2013-09-27	Manuel Luitz	Fixed limitations in g_cluster	commit \| commitdiff \| tree \| snapshot
2013-09-26	Michael Shirts	logic fix for free energies with mdrun -rerun	commit \| commitdiff \| tree \| snapshot
2013-09-26	Christoph Junghans	Drop md5sum check for GMX_BUILD_OWN_FFTW	commit \| commitdiff \| tree \| snapshot
2013-09-25	Erik Lindahl	Fix bug in (long) neighborlist SIMD padding when adding...	commit \| commitdiff \| tree \| snapshot
2013-09-24	Berk Hess	optimized generic SIMD invsqrt	commit \| commitdiff \| tree \| snapshot
2013-09-21	Berk Hess	fixed multiple distance restraints with OpenMP	commit \| commitdiff \| tree \| snapshot
2013-09-20	Mark Abraham	Described another way g_tune_pme might reasonably fail	commit \| commitdiff \| tree \| snapshot
2013-09-20	Mark Abraham	Fix total time measurement with separate PME nodes	commit \| commitdiff \| tree \| snapshot
2013-09-19	Mark Abraham	Fixed reading history_t from checkpoint	commit \| commitdiff \| tree \| snapshot
2013-09-19	Mark Abraham	Fixed g_tune_pme assumption that MPI is available	commit \| commitdiff \| tree \| snapshot
2013-09-18	Berk Hess	made free energy PME kernel 40% faster	commit \| commitdiff \| tree \| snapshot
2013-09-16	Michael Shirts	Fixing manual for sc-coul description.	commit \| commitdiff \| tree \| snapshot
2013-09-16	Berk Hess	mdrun without OpenMP with thread-MPI now uses all cores	commit \| commitdiff \| tree \| snapshot
2013-09-13	Berk Hess	corrected grompp constraint/DOF warning with vsites	commit \| commitdiff \| tree \| snapshot
2013-09-02	Magnus Lundborg	Set upper case of FFTW variable at the right place.	commit \| commitdiff \| tree \| snapshot
2013-08-25	Mark Abraham	Split up Verlet SIMD kernels for faster compilation	commit \| commitdiff \| tree \| snapshot
2013-08-25	Mark Abraham	Fix detection and suggestion in gmx_cpuid for IBM QPX	commit \| commitdiff \| tree \| snapshot
2013-08-25	Berk Hess	introduced nbnxn data structure for bounding boxes	commit \| commitdiff \| tree \| snapshot
2013-08-25	Mark Abraham	Fixes for Bluegene/Q	commit \| commitdiff \| tree \| snapshot
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