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

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

[alexxy/gromacs.git] / src / mdlib / forcerec.c

2014-05-20	Rossen Apostolov	Added a note about unsupported Verlet cutoff + Buckingham.	blob \| commitdiff \| raw
2013-11-06	Szilard Pall	enable GPU sharing among tMPI ranks	blob \| commitdiff \| raw \| diff to current
2013-10-31	Berk Hess	reorganized GPU detection and selection	blob \| commitdiff \| raw \| diff to current
2013-10-18	Mark Abraham	BlueGene/Q Verlet cut-off scheme kernels	blob \| commitdiff \| raw \| diff to current
2013-07-24	Berk Hess	implemented plain-C SIMD macros for reference	blob \| commitdiff \| raw \| diff to current
2013-07-01	Sander Pronk	Comprehensive hwinfo structure concurrency fix.	blob \| commitdiff \| raw \| diff to current
2013-05-30	Mark Abraham	Work around for correct treatment of all-vs-all	blob \| commitdiff \| raw \| diff to current
2013-05-27	Szilard Pall	minor function argument cleanup	blob \| commitdiff \| raw \| diff to current
2013-04-19	Teemu Murtola	Merge branch 'release-4-5-patches'	blob \| commitdiff \| raw \| diff to current
2013-04-13	David van der Spoel	Merge "added mdrun check for Verlet+perturbed atoms...	blob \| commitdiff \| raw \| diff to current
2013-03-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-03-06	Roland Schulz	Merge "fixed PME time print with -ntomp_pme != -ntomp...	blob \| commitdiff \| raw \| diff to current
2013-03-02	Christoph Junghans	Merge "Uncrustified code changes since 4.6" into releas...	blob \| commitdiff \| raw \| diff to current
2013-02-26	Mark Abraham	Uncrustified code changes since 4.6	blob \| commitdiff \| raw \| diff to current
2013-02-20	Mark Abraham	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "Re-generated group kernels" into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "Unwinds flag dependencies in g_order." into...	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "use legacy CUDA non-bonded kernels only on Fermi...	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "More descriptive Verlet kernel macro parameter...	blob \| commitdiff \| raw \| diff to current
2013-02-15	Mark Abraham	Merge "Fix and add Verlet kernel error messages" into...	blob \| commitdiff \| raw \| diff to current
2013-02-13	Sander Pronk	Merge "Fix code bug with thread-MPI on PowerPC with...	blob \| commitdiff \| raw \| diff to current
2013-02-13	Roland Schulz	Merge "Fixed the MPI recognition string in g_tune_pme...	blob \| commitdiff \| raw \| diff to current
2013-02-13	Roland Schulz	Merge "improve setup of multiple tf tables" into releas...	blob \| commitdiff \| raw \| diff to current
2013-02-12	Mark Abraham	Merge "PME-only counters are now reset with -maxh ...	blob \| commitdiff \| raw \| diff to current
2013-02-08	Mark Abraham	Merge "added back cuda.h includes to fix missing CUDA_V...	blob \| commitdiff \| raw \| diff to current
2013-02-08	Mark Abraham	Merge "Fixed flop counting for generic cg/adress kernel...	blob \| commitdiff \| raw \| diff to current
2013-02-08	Mark Abraham	Merge "cmake: fixed typo in template CMakeLists.txt...	blob \| commitdiff \| raw \| diff to current
2013-02-05	Christoph Junghans	Merge "Documented what GMX_CPU_ACCELERATION really...	blob \| commitdiff \| raw \| diff to current
2013-02-05	Christoph Junghans	improve setup of multiple tf tables	blob \| commitdiff \| raw \| diff to current
2013-02-05	Mark Abraham	Merge "improved load balancing on the GPU" into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-02-04	Berk Hess	fixed segv in init_forcerec with fr->hwinfo=NULL	blob \| commitdiff \| raw \| diff to current
2013-01-22	Mark Abraham	Merge "added missing cleanup of some nbnxn_cuda data...	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-18	Roland Schulz	Code beautification with uncrustify	blob \| commitdiff \| raw \| diff to current
2013-01-18	Mark Abraham	Fixing copyright issues and code contributors	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-16	Erik Lindahl	Fixed GB interactions for release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-16	Berk Hess	split off pick_nbnxn_resource from nbnxn_pick_nbnxn	blob \| commitdiff \| raw \| diff to current
2013-01-15	Mark Abraham	Merge "Hid nbnxn kernel names behind a lookup function...	blob \| commitdiff \| raw \| diff to current
2013-01-14	Mark Abraham	Hid nbnxn kernel names behind a lookup function	blob \| commitdiff \| raw \| diff to current
2013-01-11	Christoph Junghans	Merge "Fix CUDA being quiet and mark all CUDA_* as...	blob \| commitdiff \| raw \| diff to current
2013-01-11	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-09	Erik Lindahl	Merge "Corrected gmxcheck output for Gromos96 bonds...	blob \| commitdiff \| raw \| diff to current
2013-01-09	Roland Schulz	Merge "[tools] g_sans - add trajectory avereging" into...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "cmake: remove double-negative quotes logic"...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Ignore bool cast warning for MSVC and C++" into...	blob \| commitdiff \| raw \| diff to current
2013-01-07	David van der Spoel	Merge "Removed reference to nonexistent file in g_helix...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "improved reporting of failed affinity setting...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Fixed format error in online manual." into relea...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Fixed a bug that with multiple exchanges" into...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "Essential dynamics: fixed restarts when ED group...	blob \| commitdiff \| raw \| diff to current
2013-01-07	Roland Schulz	Merge "minor speed-up and code clean-up in nbnxn kernel...	blob \| commitdiff \| raw \| diff to current
2013-01-02	Berk Hess	minor speed-up and code clean-up in nbnxn kernels	blob \| commitdiff \| raw \| diff to current
2012-12-20	Erik Lindahl	Merge "cmake: added option to disable quotes" into...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Erik Lindahl	Merge "Small fix for g_tune_pme" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-20	Erik Lindahl	Merge "Fixes for andersen temperature control" into...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Erik Lindahl	Merge "Fixes for expanded ensemble and HREPEX" into...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Christoph Junghans	Merge "Fixed AVX256 double-precision kernels for gcc...	blob \| commitdiff \| raw \| diff to current
2012-12-20	Erik Lindahl	Fixed AVX256 double-precision kernels for gcc	blob \| commitdiff \| raw \| diff to current
2012-12-19	Mark Abraham	Merge "Remove the rest of the fortran/power6 accelerati...	blob \| commitdiff \| raw \| diff to current
2012-12-19	Mark Abraham	Merge "Always build template program" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-19	Szilárd Páll	Merge "Avoid using undefined CMake variables" into...	blob \| commitdiff \| raw \| diff to current
2012-12-19	Szilárd Páll	Merge "Removed orphan file" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-19	Roland Schulz	Merge "Fix license text printed by programs." into...	blob \| commitdiff \| raw \| diff to current
2012-12-19	Roland Schulz	Merge changes Idc652236,If03cf569 into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-18	Berk Hess	implemented nbnxn AVX-256 2x(N+N) kernels	blob \| commitdiff \| raw \| diff to current
2012-12-10	Christoph Junghans	Merge "force C++ linking of the gpu_utils" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-09	Roland Schulz	Merge "Fix build of template and other external code...	blob \| commitdiff \| raw \| diff to current
2012-12-06	Sebastian Fritsch	Re-enable AdResS feature	blob \| commitdiff \| raw \| diff to current
2012-12-05	Mark Abraham	Merge "don't auto-set nvcc host compiler with cmake...	blob \| commitdiff \| raw \| diff to current
2012-12-05	Mark Abraham	Merge "Keep FindCUDA quiet when it is not useful" into...	blob \| commitdiff \| raw \| diff to current
2012-12-05	Mark Abraham	Merge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-05	Mark Abraham	Merge "Re-apply -dev version name between beta 1 and...	blob \| commitdiff \| raw \| diff to current
2012-12-05	Roland Schulz	Merge "fixed segv in Verlet pair-search with trilinic...	blob \| commitdiff \| raw \| diff to current
2012-12-05	Mark Abraham	Merge "Fixed labelling of g_hbond plots" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-12-05	Roland Schulz	Merge "fixed incorrect virial with virtual sites and...	blob \| commitdiff \| raw \| diff to current
2012-11-30	Berk Hess	fixed issue with -multi and GPUs	blob \| commitdiff \| raw \| diff to current
2012-11-29	Mark Abraham	Update copyright statements and change license to LGPL	blob \| commitdiff \| raw \| diff to current
2012-11-29	Mark Abraham	Merge "automation for setting GMX_GPU & cmake GPU detec...	blob \| commitdiff \| raw \| diff to current
2012-11-29	Szilard Pall	don't print nonbonded kernel info with GMX_NO_NONBONDED	blob \| commitdiff \| raw \| diff to current
2012-11-28	Mark Abraham	Merge "extended nbnxn x86 SIMD kernel blendv support...	blob \| commitdiff \| raw \| diff to current
2012-11-28	Szilárd Páll	Merge changes I9b865c4c,Ib709290e into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-28	Szilard Pall	enable GPU emulation without GPU support	blob \| commitdiff \| raw \| diff to current
2012-11-26	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-26	Roland Schulz	Merge "Clean up some mathematical constants" into relea...	blob \| commitdiff \| raw \| diff to current
2012-11-26	Berk Hess	made nbnxn analytical Ewald consistent	blob \| commitdiff \| raw \| diff to current
2012-11-26	Erik Lindahl	Merge "Extended build information output and reference...	blob \| commitdiff \| raw \| diff to current
2012-11-26	Berk Hess	added nbnxn analytical Ewald correction kernels	blob \| commitdiff \| raw \| diff to current
2012-11-20	Christoph Junghans	Merge "Fix g_msd -mol" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-19	Roland Schulz	Merge changes Ibc555d88,Iaf6f3051 into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-19	Roland Schulz	Merge "Remove double declaration in headers" into relea...	blob \| commitdiff \| raw \| diff to current
2012-11-17	Roland Schulz	Remove double declaration in headers	blob \| commitdiff \| raw \| diff to current
2012-11-17	Roland Schulz	Merge "Removing Zn and Ar non-OPLS atom types" into...	blob \| commitdiff \| raw \| diff to current
2012-11-15	Christoph Junghans	Merge "Test that compiling and linking of AVX works...	blob \| commitdiff \| raw \| diff to current
2012-11-15	Berk Hess	fixed incorrect 1-4 energies with OpenMP + energy groups	blob \| commitdiff \| raw \| diff to current
2012-11-08	Roland Schulz	Merge "Fixed bug in the new switch-modified interaction...	blob \| commitdiff \| raw \| diff to current
2012-11-08	Christoph Junghans	Merge "auto-set nvcc host compiler with FindMPI detecti...	blob \| commitdiff \| raw \| diff to current
2012-11-08	Christoph Junghans	Merge "Relocated logic of simple-vs-GPU Ewald table...	blob \| commitdiff \| raw \| diff to current
2012-11-08	Mark Abraham	Relocated logic of simple-vs-GPU Ewald table generation	blob \| commitdiff \| raw \| diff to current
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