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

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

[alexxy/gromacs.git] / src / kernel / runner.c

2013-04-18	Berk Hess	changed mdrun -nsteps to gmx_large_int_t	blob \| commitdiff \| raw
2013-04-16	David van der Spoel	Merge "corrected grompp rvdw charge-group radii check...	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
2013-02-20	Berk Hess	added mdrun check for Verlet+perturbed atoms	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
2013-01-22	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	Berk Hess	thread affinity now uses some topology information	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 "Remove unnecessary ICC flags affecting performan...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Merge "improved CUDA kernel performance by pre-loading...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Christoph Junghans	Merge "Added note about make_edi and flooding in ED...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Christoph Junghans	Merge "use the compiler version provided by CMake ...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Roland Schulz	Merge "Merge branch 'release-4-5-patches' into release...	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
2013-01-17	Roland Schulz	Merge "clarify wording of GPU driver-related notes...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Roland Schulz	Merge "Added check for valid wall_atomtype in .mdp...	blob \| commitdiff \| raw \| diff to current
2013-01-17	Mark Abraham	Finally move OpenMM to contrib	blob \| commitdiff \| raw \| diff to current
2013-01-16	Mark Abraham	Quiet stderr output, particularly for multi-simulations	blob \| commitdiff \| raw \| diff to current
2013-01-15	Christoph Junghans	Merge "Added fatal error for constraints + L-BFGS minim...	blob \| commitdiff \| raw \| diff to current
2013-01-15	Sander Pronk	Merge "Continuation of documentation for expanded ensem...	blob \| commitdiff \| raw \| diff to current
2013-01-15	Mark Abraham	Velocity-verlet integrators and v-rescale are broken	blob \| commitdiff \| raw \| diff to current
2013-01-14	Carsten Kutzner	Essential dynamics output file now in .xvg format	blob \| commitdiff \| raw \| diff to current
2013-01-14	David van der Spoel	Merge "Fixing trjconv -sub" into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2013-01-14	David van der Spoel	Merge "Noting that and why gmxdump -s -sys is broken...	blob \| commitdiff \| raw \| diff to current
2013-01-13	Roland Schulz	Merge "Fixes for md-vv and rerun" into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-13	Mark Abraham	Updated code checks with distance restraints	blob \| commitdiff \| raw \| diff to current
2013-01-13	Michael Shirts	Fixes for md-vv and rerun	blob \| commitdiff \| raw \| diff to current
2013-01-13	Christoph Junghans	Merge "Remove unused bfunc.h." into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-13	Christoph Junghans	Merge "Clarified some comments & warnings about thread...	blob \| commitdiff \| raw \| diff to current
2013-01-13	Mark Abraham	Clarified some comments & warnings about thread pinning	blob \| commitdiff \| raw \| diff to current
2013-01-13	Mark Abraham	Merge "Added basic CPU topology information to cpuid...	blob \| commitdiff \| raw \| diff to current
2013-01-12	Christoph Junghans	Merge "Added missing export" into release-4-6	blob \| commitdiff \| raw \| diff to current
2013-01-11	Erik Lindahl	Merge "made SHAKE work again with particle decompostion...	blob \| commitdiff \| raw \| diff to current
2013-01-11	Roland Schulz	Merge "time the GPU force clearing async launch overhea...	blob \| commitdiff \| raw \| diff to current
2013-01-11	Christoph Junghans	Merge "console and log output improvements" into releas...	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
2013-01-11	Szilard Pall	console and log output improvements	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
2013-01-02	Szilard Pall	improved reporting of failed affinity setting	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
2012-12-05	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 "SSE4.1 double precision kernels" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-29	Mark Abraham	Merge "Double precision SSE2 kernels" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-28	Mark Abraham	Merge "Ported back some AVX256 optimizations to SSE2...	blob \| commitdiff \| raw \| diff to current
2012-11-28	Berk Hess	fixed thread pinning with mdrun -multi	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	use tMPI API for thread affinity setting	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
2012-11-20	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-09	Kasson	Merge "only use CPU_COUNT if it's available" into relea...	blob \| commitdiff \| raw \| diff to current
2012-11-09	Szilard Pall	only use CPU_COUNT if it's available	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	Erik Lindahl	Infrastructure for new group kernels, and new C kernels	blob \| commitdiff \| raw \| diff to current
2012-11-07	Szilard Pall	detect externally set CPU affinity	blob \| commitdiff \| raw \| diff to current
2012-11-06	Berk Hess	Merge "Add option to install libcudart" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-11-06	Berk Hess	Merge "don't execute any mpi_info/mpiname in the path...	blob \| commitdiff \| raw \| diff to current
2012-11-05	Berk Hess	Merge "updated several things related with OpenMP threa...	blob \| commitdiff \| raw \| diff to current
2012-11-05	Berk Hess	updated several things related with OpenMP thread count	blob \| commitdiff \| raw \| diff to current
2012-11-03	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-10-31	Szilard Pall	fix internal/external OpenMP thread affinity clash	blob \| commitdiff \| raw \| diff to current
2012-10-25	Roland Schulz	Merge "fix CUDA non-bonded kernel pointer assignment...	blob \| commitdiff \| raw \| diff to current
2012-10-23	Roland Schulz	Merge "moved part of nbnxn_search.c to nbnxn_atomdata...	blob \| commitdiff \| raw \| diff to current
2012-10-23	Berk Hess	moved part of nbnxn_search.c to nbnxn_atomdata.c	blob \| commitdiff \| raw \| diff to current
2012-10-23	Roland Schulz	Merge "added OpenMP parallelization for virtual sites...	blob \| commitdiff \| raw \| diff to current
2012-10-22	Berk Hess	added OpenMP parallelization for virtual sites	blob \| commitdiff \| raw \| diff to current
2012-10-19	Roland Schulz	Merge "[tools] Allow g_dist to use default index group...	blob \| commitdiff \| raw \| diff to current
2012-10-19	Kasson	Merge "renamed constraint variables rmdr to vir_r_m_dr...	blob \| commitdiff \| raw \| diff to current
2012-10-19	Roland Schulz	Merge "renamed pme_switch... to pme_loadbal..." into...	blob \| commitdiff \| raw \| diff to current
2012-10-18	Roland Schulz	Merge "Added thread affinity API to thread_mpi." into...	blob \| commitdiff \| raw \| diff to current
2012-10-15	Sander Pronk	Added thread affinity API to thread_mpi.	blob \| commitdiff \| raw \| diff to current
2012-10-02	Szilard Pall	added Verlet scheme and NxN non-bonded functionality	blob \| commitdiff \| raw \| diff to current
2012-10-01	Roland Schulz	Merge release-4-5-patches into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-09-15	Kasson	Merge "Fix some memory leaks." into release-4-5-patches	blob \| commitdiff \| raw \| diff to current
2012-09-15	David van der Spoel	Merge "Adapted NMR related data to new pdb format....	blob \| commitdiff \| raw \| diff to current
2012-09-14	Christoph Junghans	Merge "fixed recent bug with grompp check for P-R P...	blob \| commitdiff \| raw \| diff to current
2012-09-13	Roland Schulz	Backport of md-vv rerun check from c7a82654f2eb8992	blob \| commitdiff \| raw \| diff to current
2012-09-03	Szilard Pall	Merge branch 'release-4-5-patches' into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-16	Christoph Junghans	Merge "Removed commas from gmx_hbond OpenMP constructs...	blob \| commitdiff \| raw \| diff to current
2012-07-16	Christoph Junghans	Merge "Enforced rotation: PBC/restart fix" into release-4-6	blob \| commitdiff \| raw \| diff to current
2012-07-13	Roland Schulz	Merge release-4.5-patches into HEAD	blob \| commitdiff \| raw \| diff to current
2012-07-06	Carsten Kutzner	Enforced rotation: PBC/restart fix	blob \| commitdiff \| raw \| diff to current
2012-06-26	Roland Schulz	Merge "Fix gmx_fatal for serial compilation" into relea...	blob \| commitdiff \| raw \| diff to current
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