biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
SIMD accelerated Urey-Bradley
[alexxy/gromacs.git]
/
src
/
2017-12-05
Magnus Lundborg
SIMD accelerated Urey-Bradley
tree
|
commitdiff
2017-12-05
Berk Hess
Fix DD exact continuation bug
tree
|
commitdiff
2017-12-04
Berk Hess
Fix pme gather in double with AVX(2)_128
tree
|
commitdiff
2017-12-04
Aleksei Iupinov
Reformulate PME solving tests tolerances
tree
|
commitdiff
2017-12-04
Berk Hess
Merge "Merge branch release-2016 into release-2018...
tree
|
commitdiff
2017-12-04
Mark Abraham
Fix free_gpu
tree
|
commitdiff
2017-12-04
Berk Hess
Fixed initial temperature reporting
tree
|
commitdiff
2017-12-04
Mark Abraham
Fix unused variables in CPU pruning kernels
tree
|
commitdiff
2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
tree
|
commitdiff
2017-12-04
Berk Hess
Update mdrun signal help text
tree
|
commitdiff
2017-12-04
Berk Hess
Only stop at nstlist steps with -reprod
tree
|
commitdiff
2017-12-04
Erik Lindahl
Fix compilation issues for AVX-512
tree
|
commitdiff
2017-12-03
Berk Hess
Clear vsite velocities for simple integrators
tree
|
commitdiff
2017-12-03
Mark Abraham
Fix fft5d pinning
tree
|
commitdiff
2017-12-03
Berk Hess
Tighten B-spline moduli single precision test tolerance...
tree
|
commitdiff
2017-12-02
Berk Hess
Avoid assertion failure in AWH
tree
|
commitdiff
2017-11-29
Berk Hess
Change the GPU SMT cut-off to quadratic
tree
|
commitdiff
2017-11-28
Berk Hess
Refactor nbnxn exclusion setting
tree
|
commitdiff
2017-11-28
Berk Hess
Extend grompp missing energy term message
tree
|
commitdiff
2017-11-28
Aleksei Iupinov
Replace of pmeGPU variable name with pmeGpu
tree
|
commitdiff
2017-11-28
Szilárd Páll
Separate local GPU NB wait from emulation launch
tree
|
commitdiff
2017-11-28
Szilárd Páll
Refactor GPU rolling prune launch
tree
|
commitdiff
2017-11-27
Szilárd Páll
Time FFT/gather in mixed mode
tree
|
commitdiff
2017-11-27
Aleksei Iupinov
Do not force separate PME rank to recompute reciprocal...
tree
|
commitdiff
2017-11-27
Aleksei Iupinov
Disable failing separate PME rank tests
tree
|
commitdiff
2017-11-27
Aleksei Iupinov
Add tests for PME tuning and fix mixed PME mode with...
tree
|
commitdiff
2017-11-27
Berk Hess
Enable auto thread pinning with thread limiting
tree
|
commitdiff
2017-11-27
Berk Hess
Fix PME GPU with walls
tree
|
commitdiff
2017-11-25
Berk Hess
Fix compiler warning without MPI
tree
|
commitdiff
2017-11-24
Aleksei Iupinov
Destroy PME GPU context
tree
|
commitdiff
2017-11-24
Aleksei Iupinov
Enable separate PME GPU rank
tree
|
commitdiff
2017-11-24
Aleksei Iupinov
Do not call mixed CPU+GPU PME mode "Hybrid"
tree
|
commitdiff
2017-11-24
Aleksei Iupinov
Activate mixed mode of PME on GPU
tree
|
commitdiff
2017-11-24
Berk Hess
Disabled CUDA timings
tree
|
commitdiff
2017-11-24
Mark Abraham
Activate PME on GPUs
tree
|
commitdiff
2017-11-24
Aleksei Iupinov
Remove outdated (already implemented) pinning TODO
tree
|
commitdiff
2017-11-24
Berk Hess
Speed up nbnxn buffer clearing
tree
|
commitdiff
2017-11-24
Mark Abraham
Separate management of GPU contexts from modules
tree
|
commitdiff
2017-11-24
Erik Lindahl
Detect AVX-512 FMA units to choose best SIMD
tree
|
commitdiff
2017-11-24
Mark Abraham
Add PME integration test
tree
|
commitdiff
2017-11-24
Mark Abraham
Extend task assignment code
tree
|
commitdiff
2017-11-24
Aleksei Iupinov
Make FFT real-space grid use CUDA pinning for mixed...
tree
|
commitdiff
2017-11-24
Berk Hess
Limit SMT with PME on GPU
tree
|
commitdiff
2017-11-24
Aleksei Iupinov
Pin coordinates, forces and charges for PME on GPU
tree
|
commitdiff
2017-11-23
Berk Hess
Correct PME GPU timing naming
tree
|
commitdiff
2017-11-23
Szilárd Páll
Move GPU FFT/gather launch after GPU nonbondeds
tree
|
commitdiff
2017-11-21
Mark Abraham
Use much less PaddedRVecVector and more ArrayRef of...
tree
|
commitdiff
2017-11-21
Aleksei Iupinov
Fix CUDA release build warning
tree
|
commitdiff
2017-11-21
Aleksei Iupinov
Fix pinned memory status checker tests
tree
|
commitdiff
2017-11-21
Mark Abraham
Support pinning in HostAllocator
tree
|
commitdiff
2017-11-21
Viveca Lindahl
Add force correlation to AWH module
tree
|
commitdiff
2017-11-20
Viveca Lindahl
Add reading and writing to AWH module
tree
|
commitdiff
2017-11-20
Berk Hess
Prevent PME tuning excessive grid scaling
tree
|
commitdiff
2017-11-19
Berk Hess
Add SIMD for AWH
tree
|
commitdiff
2017-11-19
Viveca Lindahl
Add AWH biasing module + tests
tree
|
commitdiff
2017-11-18
Aleksei Iupinov
Asynchronous CUDA transfers are asserted to always...
tree
|
commitdiff
2017-11-17
Mark Abraham
Use HostAllocationPolicy for chargeA
tree
|
commitdiff
2017-11-17
Mark Abraham
Add checking function for whether a buffer is pinned
tree
|
commitdiff
2017-11-17
Mark Abraham
Improve handling of PME GPU force buffer
tree
|
commitdiff
2017-11-17
Aleksei Iupinov
Make gpu_utils-test build with GMX_CLANG_CUDA
tree
|
commitdiff
2017-11-16
Berk Hess
Also print 1x1 pair-list setup to log
tree
|
commitdiff
2017-11-15
Aleksei Iupinov
Rename and expose "generic" GPU memory transfer functions
tree
|
commitdiff
2017-11-10
Roland Schulz
PME-gather: 4xN SIMD
tree
|
commitdiff
2017-11-10
Berk Hess
Fix genion charge summation accuracy
tree
|
commitdiff
2017-11-10
Roland Schulz
Rename load1DualHsimd to loadU1DualHsimd
tree
|
commitdiff
2017-11-10
Roland Schulz
AVX: Improve load1DualHsimd
tree
|
commitdiff
2017-11-09
Aleksei Iupinov
Rename synchronous GPU transfer functions to match...
tree
|
commitdiff
2017-11-09
Mark Abraham
Prepared t_mdatoms for using vector
tree
|
commitdiff
2017-11-09
Mark Abraham
Introduce HostAllocationPolicy
tree
|
commitdiff
2017-11-08
Roland Schulz
Fix scalar blend
tree
|
commitdiff
2017-11-08
Magnus Lundborg
Update to TNG v 1.8.1
tree
|
commitdiff
2017-11-07
Mark Abraham
Reform gmx_pme_pp alloc and use vector
tree
|
commitdiff
2017-11-07
Mark Abraham
Introduce gmxopencl.h
tree
|
commitdiff
2017-11-07
Szilárd Páll
Merge common nbnxn CUDA/OpenCL GPU wait code-paths
tree
|
commitdiff
2017-11-07
Szilárd Páll
Add wallcycle timer for the PME GPU F reduction
tree
|
commitdiff
2017-11-07
Szilárd Páll
Split off nbnxn GPU timing and staging reduction
tree
|
commitdiff
2017-11-07
Mark Abraham
Improve PME includes
tree
|
commitdiff
2017-11-07
Szilárd Páll
Deduplicate CUDA and OpenCL timer struct
tree
|
commitdiff
2017-11-06
David van der Spoel
Fixed check for water in gen_vsite.cpp
tree
|
commitdiff
2017-11-03
Mark Abraham
Merge "Merge branch release-2016"
tree
|
commitdiff
2017-11-02
Berk Hess
Fix Ekin at step 0 with COM removal
tree
|
commitdiff
2017-11-02
David van der Spoel
New mdp input for electric fields.
tree
|
commitdiff
2017-11-02
Aleksei Iupinov
Replace math.h by cmath includes in cpp files
tree
|
commitdiff
2017-11-02
Mark Abraham
Merge branch release-2016
tree
|
commitdiff
2017-11-02
Berk Hess
Add missing Ewald correction for pme-user
tree
|
commitdiff
2017-11-01
Mark Abraham
Fix thread-MPI rank choice for orientation restraints
tree
|
commitdiff
2017-11-01
Aleksei Iupinov
Remove unused PME GPU declarations
tree
|
commitdiff
2017-11-01
Aleksei Iupinov
Move pme_gpu_finish_computation() documentation to...
tree
|
commitdiff
2017-11-01
Aleksei Iupinov
Fix erroneous PME GPU "step" namings
tree
|
commitdiff
2017-11-01
Mark Abraham
Improve handling of GPU IDs
tree
|
commitdiff
2017-11-01
Aleksei Iupinov
Simplify PME GPU synchronization code
tree
|
commitdiff
2017-10-31
Aleksei Iupinov
Reuse epbcXY logic
tree
|
commitdiff
2017-10-31
Szilárd Páll
Fix nstlist increase warning print
tree
|
commitdiff
2017-10-31
Szilárd Páll
Check CUDA available/compiled code compatibility
tree
|
commitdiff
2017-10-31
Mark Abraham
Update treatment of GPU compatibility data structure
tree
|
commitdiff
2017-10-31
Szilárd Páll
Fix nstlist increase warning print
tree
|
commitdiff
2017-10-30
David van der Spoel
Fixed mdp output from electric field code.
tree
|
commitdiff
2017-10-30
Aleksei Iupinov
Fix reference mode build unused function warnings
tree
|
commitdiff
2017-10-30
Berk Hess
Remove unused sign parameter from dih_angle()
tree
|
commitdiff
2017-10-30
Roland Schulz
ArrayRef: Replace fromVector with subArray
tree
|
commitdiff
next