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

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

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
2013-08-25	Mark Abraham	Consolidated NBNxN SIMD kernel utility routines	commit \| commitdiff \| tree \| snapshot
2013-08-25	Mark Abraham	Fix minor wallcycle output issues	commit \| commitdiff \| tree \| snapshot
2013-08-25	Mark Abraham	Fixed GMX_DD_DUMP_GRID	commit \| commitdiff \| tree \| snapshot
2013-08-20	Berk Hess	fixed parallel normal modes with PME	commit \| commitdiff \| tree \| snapshot
2013-08-09	Mark Abraham	Reordered FFTW fatal error; avoids using unset variables	commit \| commitdiff \| tree \| snapshot
2013-08-05	Mark Abraham	Fixed reference SIMD code to work with MSVC	commit \| commitdiff \| tree \| snapshot
2013-08-02	Michael Shirts	Fixing problem caused by overflow in expanded ensemble.	commit \| commitdiff \| tree \| snapshot
2013-08-01	Mark Abraham	Refactored preparation of buffer for NBNxN table loads	commit \| commitdiff \| tree \| snapshot
2013-08-01	Carsten Kutzner	Properly finalize MPI on mdrun -version. Fixes #1313	commit \| commitdiff \| tree \| snapshot
2013-07-30	Christoph Junghans	cmake: Improve some error messages	commit \| commitdiff \| tree \| snapshot
2013-07-25	Justin Lemkul	Updated dlist.c to recognize more atom names.	commit \| commitdiff \| tree \| snapshot
2013-07-25	Mark Abraham	Find mkl.h on more icc versions	commit \| commitdiff \| tree \| snapshot
2013-07-25	Mark Abraham	Update management of linear algebra libraries	commit \| commitdiff \| tree \| snapshot
2013-07-24	David van der...	Fixes #1312 uninitialized error in g_enemat.	commit \| commitdiff \| tree \| snapshot
2013-07-24	Berk Hess	implemented plain-C SIMD macros for reference	commit \| commitdiff \| tree \| snapshot
2013-07-24	Mark Abraham	Removed buggy -seppot output	commit \| commitdiff \| tree \| snapshot
2013-07-18	Mark Abraham	Fixed pdb2gmx -vsite hydrogen -o conf.pdb	commit \| commitdiff \| tree \| snapshot
2013-07-14	Mark Abraham	Fixed possible dereference of null pointer	commit \| commitdiff \| tree \| snapshot
2013-07-11	Mark Abraham	Fixed typos in #include guard #defines	commit \| commitdiff \| tree \| snapshot
2013-07-07	Mark Abraham	Fixed minor admin issues	commit \| commitdiff \| tree \| snapshot
2013-07-06	Christoph Junghans	more pkg-config fixes	commit \| commitdiff \| tree \| snapshot
2013-07-05	Mark Abraham	Bump version after 4.6.3 release	commit \| commitdiff \| tree \| snapshot
2013-07-04	Christoph Junghans	Fixed some inconsistencies in pkg-config files	commit \| commitdiff \| tree \| snapshot
2013-07-01	Mark Abraham	Corrected definition of EEL_USER	commit \| commitdiff \| tree \| snapshot
2013-07-01	Sander Pronk	Comprehensive hwinfo structure concurrency fix.	commit \| commitdiff \| tree \| snapshot
2013-06-28	Justin Lemkul	Minor tweaks to qm_orca.c	commit \| commitdiff \| tree \| snapshot
2013-06-28	Justin Lemkul	Fixes to config.h.cmakein to set GMX_QMMM_ORCA.	commit \| commitdiff \| tree \| snapshot
2013-06-26	Carsten Kutzner	Fixed -npstring command line argument in g_tune_pme	commit \| commitdiff \| tree \| snapshot
2013-06-25	Mark Abraham	Fixed #include of header for atomics on K-computer	commit \| commitdiff \| tree \| snapshot
2013-06-25	Jeff Hammond	Fix declaration that XLC rejected	commit \| commitdiff \| tree \| snapshot
2013-06-25	Szilard Pall	added CUDA compiler flags to version header	commit \| commitdiff \| tree \| snapshot
2013-06-20	Berk Hess	fixed SD and BD integrator OpenMP performance	commit \| commitdiff \| tree \| snapshot
2013-06-20	Michael Shirts	Fixing a problem when dhdl and replex are not multiples	commit \| commitdiff \| tree \| snapshot
2013-06-20	Berk Hess	flops table now reports CUDA analytical Ewald	commit \| commitdiff \| tree \| snapshot
2013-06-16	Jeff Hammond	Define both C and C++ compilers in BGQ toolchains;...	commit \| commitdiff \| tree \| snapshot
2013-06-16	Jeff Hammond	Use more obvious name of BGQ compiler MPI wrappers	commit \| commitdiff \| tree \| snapshot
2013-06-16	Jeff Hammond	fix CMake bug related to TestQPX.c location	commit \| commitdiff \| tree \| snapshot
2013-06-16	Jeff Hammond	fixed a typo (unclosed bracket) that cause CMake to...	commit \| commitdiff \| tree \| snapshot
2013-06-14	Berk Hess	fixed minor g_bar output issues	commit \| commitdiff \| tree \| snapshot
2013-06-13	Mark Abraham	Remove unused variables	commit \| commitdiff \| tree \| snapshot
2013-06-07	Peter Kasson	Fixes syntax for FAHCORE in CMakeLists.txt.	commit \| commitdiff \| tree \| snapshot
2013-06-07	Pedro Lacerda	Add a GMX_NO_CREDITS variable to not show credits	commit \| commitdiff \| tree \| snapshot
2013-06-06	Pedro Lacerda	Various fixes for genion	commit \| commitdiff \| tree \| snapshot
2013-06-05	Berk Hess	fixed DD internal state corruption with energy minimization	commit \| commitdiff \| tree \| snapshot
2013-06-04	Sander Pronk	Fixed inconsistent locality_order array for thread...	commit \| commitdiff \| tree \| snapshot
2013-06-04	Sander Pronk	Fixed deadlock on Mac OS X during thread affinity check.	commit \| commitdiff \| tree \| snapshot
2013-06-04	Teemu Murtola	Split cmake thread detection into core thread and threa...	commit \| commitdiff \| tree \| snapshot
2013-06-03	Berk Hess	fixed deadlock with replica exchange and -maxh	commit \| commitdiff \| tree \| snapshot
2013-05-30	Mark Abraham	New patch release 4.6.2	commit \| commitdiff \| tree \| snapshot
2013-05-30	Szilárd Páll	fix unnecessary switch to polling GPU wait	commit \| commitdiff \| tree \| snapshot
2013-05-30	Szilard Pall	fix thread-safety issue in affinity layout detection	commit \| commitdiff \| tree \| snapshot
2013-05-30	Szilard Pall	add workaround for clang on AMD with FMA	commit \| commitdiff \| tree \| snapshot
2013-05-30	Justin Lemkul	Added GROMOS96 54A7 force field files.	commit \| commitdiff \| tree \| snapshot
2013-05-30	Szilard Pall	fix thread offset + stride check	commit \| commitdiff \| tree \| snapshot
2013-05-30	Michael Shirts	Fixing the constraint dhdl term in shake	commit \| commitdiff \| tree \| snapshot
2013-05-30	David van der...	Fixes #1194 error reading 4.5.5 tpr files with dihres	commit \| commitdiff \| tree \| snapshot
2013-05-30	Mark Abraham	Work around for correct treatment of all-vs-all	commit \| commitdiff \| tree \| snapshot
2013-05-28	Carsten Kutzner	Fixed calculation of slab buffer size for flexible...	commit \| commitdiff \| tree \| snapshot
2013-05-28	Teemu Murtola	Fix an error in selection online help.	commit \| commitdiff \| tree \| snapshot
2013-05-28	Carsten Kutzner	Fix for a rare condition in flexible rotation potentials.	commit \| commitdiff \| tree \| snapshot
2013-05-27	Szilard Pall	minor function argument cleanup	commit \| commitdiff \| tree \| snapshot
2013-05-27	Carsten Kutzner	Code cleanup in enforced rotation module, remove warnings.	commit \| commitdiff \| tree \| snapshot
2013-05-26	Michael Shirts	Fix of memory leak	commit \| commitdiff \| tree \| snapshot
2013-05-25	Mark Abraham	Make FFT detection quieter when nothing is changing	commit \| commitdiff \| tree \| snapshot
2013-05-24	Sander Pronk	Fixed a potential race condition in tMPI_Thread_create()	commit \| commitdiff \| tree \| snapshot
2013-05-22	Mark Abraham	Clarify g_gyrate -h	commit \| commitdiff \| tree \| snapshot
2013-05-22	Mark Abraham	Fix g_chi -omega	commit \| commitdiff \| tree \| snapshot
2013-05-22	Pedro Lacerda	Fix genion -nq and -pq when using -neutral	commit \| commitdiff \| tree \| snapshot
2013-05-21	Mark Abraham	Updated grompp cut-off and PME-Switch checks	commit \| commitdiff \| tree \| snapshot
2013-05-21	P S Lacerda	Fix -neutral option in genion	commit \| commitdiff \| tree \| snapshot
2013-05-21	Michael Shirts	Fixed problem with bond constraint dhdl being left out	commit \| commitdiff \| tree \| snapshot
2013-05-21	Erik Lindahl	Fujitsu Sparc64 acceleration and general fixes for...	commit \| commitdiff \| tree \| snapshot
2013-05-21	Sander Pronk	New version of thread_mpi with many minor enhancements	commit \| commitdiff \| tree \| snapshot
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