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fixed parallel normal modes with PME
[alexxy/gromacs.git]
/
src
/
kernel
/
runner.c
2013-08-20
Berk Hess
fixed parallel normal modes with PME
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2013-07-01
Sander Pronk
Comprehensive hwinfo structure concurrency fix.
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2013-05-30
Mark Abraham
Work around for correct treatment of all-vs-all
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2013-05-27
Szilard Pall
minor function argument cleanup
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2013-05-27
Carsten Kutzner
Code cleanup in enforced rotation module, remove warnings.
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2013-04-29
Mark Abraham
Merge "Fixing a problem with dh/dl 1-4 interactions...
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2013-04-26
Mark Abraham
Merge "CUDA PME kernels with analytical Ewald correctio...
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2013-04-26
Mark Abraham
Merge "improved load balancing with Verlet cut-off...
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2013-04-26
Christoph Junghans
Merge "v-rescale works with tau-t >= 0" into release-4-6
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2013-04-25
Mark Abraham
Merge "Merge branch 'release-4-5-patches'" into release-4-6
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2013-04-22
Mark Abraham
Merge "Use git snapshots of the tests if are on git...
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-04-18
Berk Hess
changed mdrun -nsteps to gmx_large_int_t
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2013-04-16
David van der Spoel
Merge "corrected grompp rvdw charge-group radii check...
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2013-04-13
David van der Spoel
Merge "added mdrun check for Verlet+perturbed atoms...
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-02-20
Berk Hess
added mdrun check for Verlet+perturbed atoms
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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2013-01-18
Berk Hess
thread affinity now uses some topology information
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performan...
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2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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2013-01-17
Christoph Junghans
Merge "Added note about make_edi and flooding in ED...
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2013-01-17
Christoph Junghans
Merge "use the compiler version provided by CMake ...
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2013-01-17
Roland Schulz
Merge "Merge branch 'release-4-5-patches' into release...
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-17
Roland Schulz
Merge "clarify wording of GPU driver-related notes...
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2013-01-17
Roland Schulz
Merge "Added check for valid wall_atomtype in .mdp...
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2013-01-17
Mark Abraham
Finally move OpenMM to contrib
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2013-01-16
Mark Abraham
Quiet stderr output, particularly for multi-simulations
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2013-01-15
Christoph Junghans
Merge "Added fatal error for constraints + L-BFGS minim...
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2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensem...
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2013-01-15
Mark Abraham
Velocity-verlet integrators and v-rescale are broken
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2013-01-14
Carsten Kutzner
Essential dynamics output file now in .xvg format
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2013-01-14
David van der Spoel
Merge "Fixing trjconv -sub" into release-4-5-patches
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2013-01-14
David van der Spoel
Merge "Noting that and why gmxdump -s -sys is broken...
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2013-01-13
Roland Schulz
Merge "Fixes for md-vv and rerun" into release-4-6
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2013-01-13
Mark Abraham
Updated code checks with distance restraints
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2013-01-13
Michael Shirts
Fixes for md-vv and rerun
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2013-01-13
Christoph Junghans
Merge "Remove unused bfunc.h." into release-4-6
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2013-01-13
Christoph Junghans
Merge "Clarified some comments & warnings about thread...
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2013-01-13
Mark Abraham
Clarified some comments & warnings about thread pinning
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2013-01-13
Mark Abraham
Merge "Added basic CPU topology information to cpuid...
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2013-01-12
Christoph Junghans
Merge "Added missing export" into release-4-6
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2013-01-11
Erik Lindahl
Merge "made SHAKE work again with particle decompostion...
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2013-01-11
Roland Schulz
Merge "time the GPU force clearing async launch overhea...
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2013-01-11
Christoph Junghans
Merge "console and log output improvements" into releas...
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2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-11
Szilard Pall
console and log output improvements
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2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
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2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
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2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
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2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
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2013-01-07
David van der Spoel
Merge "Removed reference to nonexistent file in g_helix...
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2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
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2013-01-02
Szilard Pall
improved reporting of failed affinity setting
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2012-12-10
Christoph Junghans
Merge "force C++ linking of the gpu_utils" into release-4-6
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2012-12-05
Mark Abraham
Merge "don't auto-set nvcc host compiler with cmake...
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2012-12-05
Mark Abraham
Merge "Keep FindCUDA quiet when it is not useful" into...
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2012-12-05
Mark Abraham
Merge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6
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2012-12-05
Mark Abraham
Merge "Re-apply -dev version name between beta 1 and...
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2012-12-05
Roland Schulz
Merge "fixed segv in Verlet pair-search with trilinic...
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2012-12-05
Mark Abraham
Merge "Fixed labelling of g_hbond plots" into release-4-6
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2012-12-05
Roland Schulz
Merge "fixed incorrect virial with virtual sites and...
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2012-11-30
Berk Hess
fixed issue with -multi and GPUs
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-29
Mark Abraham
Merge "SSE4.1 double precision kernels" into release-4-6
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2012-11-29
Mark Abraham
Merge "Double precision SSE2 kernels" into release-4-6
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2012-11-28
Mark Abraham
Merge "Ported back some AVX256 optimizations to SSE2...
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2012-11-28
Berk Hess
fixed thread pinning with mdrun -multi
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2012-11-28
Mark Abraham
Merge "extended nbnxn x86 SIMD kernel blendv support...
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2012-11-28
Szilárd Páll
Merge changes I9b865c4c,Ib709290e into release-4-6
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2012-11-28
Szilard Pall
use tMPI API for thread affinity setting
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-09
Kasson
Merge "only use CPU_COUNT if it's available" into relea...
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2012-11-09
Szilard Pall
only use CPU_COUNT if it's available
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2012-11-08
Christoph Junghans
Merge "auto-set nvcc host compiler with FindMPI detecti...
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2012-11-08
Erik Lindahl
Infrastructure for new group kernels, and new C kernels
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2012-11-07
Szilard Pall
detect externally set CPU affinity
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2012-11-06
Berk Hess
Merge "Add option to install libcudart" into release-4-6
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2012-11-06
Berk Hess
Merge "don't execute any mpi_info/mpiname in the path...
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2012-11-05
Berk Hess
Merge "updated several things related with OpenMP threa...
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2012-11-05
Berk Hess
updated several things related with OpenMP thread count
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-31
Szilard Pall
fix internal/external OpenMP thread affinity clash
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2012-10-25
Roland Schulz
Merge "fix CUDA non-bonded kernel pointer assignment...
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2012-10-23
Roland Schulz
Merge "moved part of nbnxn_search.c to nbnxn_atomdata...
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2012-10-23
Berk Hess
moved part of nbnxn_search.c to nbnxn_atomdata.c
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2012-10-23
Roland Schulz
Merge "added OpenMP parallelization for virtual sites...
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2012-10-22
Berk Hess
added OpenMP parallelization for virtual sites
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2012-10-19
Roland Schulz
Merge "[tools] Allow g_dist to use default index group...
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2012-10-19
Kasson
Merge "renamed constraint variables rmdr to vir_r_m_dr...
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2012-10-19
Roland Schulz
Merge "renamed pme_switch... to pme_loadbal..." into...
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2012-10-18
Roland Schulz
Merge "Added thread affinity API to thread_mpi." into...
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2012-10-15
Sander Pronk
Added thread affinity API to thread_mpi.
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