biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Unify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE_GPU_TIMING
[alexxy/gromacs.git]
/
src
/
gromacs
/
nbnxm
/
2021-11-03
Andrey Alekseenko
Unify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE...
tree
|
commitdiff
2021-11-03
Andrey Alekseenko
Fix random typos
tree
|
commitdiff
2021-11-03
Andrey Alekseenko
SYCL: Use acc.bind(cgh) instead of cgh.require(acc)
tree
|
commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
tree
|
commitdiff
2021-10-06
Andrey Alekseenko
SYCL: Add missing barrier to NBNXM energy reduction
tree
|
commitdiff
2021-10-01
Roland Schulz
SYCL: remove (un)flatten
tree
|
commitdiff
2021-09-30
Berk Hess
Pad RVec force buffer in ThreadForceBuffer
tree
|
commitdiff
2021-09-29
Magnus Lundborg
SIMD support for nonbonded free-energy kernels
tree
|
commitdiff
2021-09-29
Szilárd Páll
Allow disabling cj prefetch in the CUDA nbnxm kernels
tree
|
commitdiff
2021-09-25
Berk Hess
Replace DOMAINDECOMP macro by a renamed function
tree
|
commitdiff
2021-09-24
Berk Hess
Also use DD partitioning in serial
tree
|
commitdiff
2021-09-17
Andrey Alekseenko
SYCL: prepareGpuKernelArgument/launchGpuKernel
tree
|
commitdiff
2021-09-16
Artem Zhmurov
Miscellaneous doxygen fixes
tree
|
commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
|
commitdiff
2021-08-28
Andrey Alekseenko
Get rid of sycl::buffer::reinterpret
tree
|
commitdiff
2021-08-28
Andrey Alekseenko
SYCL: Fully switch to atomic_ref
tree
|
commitdiff
2021-08-26
Andrey Alekseenko
Add missing Doxygen for SYCL functions and some others
tree
|
commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
|
commitdiff
2021-08-17
Andrey Alekseenko
Random cosmetic fixes
tree
|
commitdiff
2021-08-16
Artem Zhmurov
Add common header to GpuEventSynchronizer
tree
|
commitdiff
2021-08-13
Mark Abraham
Provide better defaults for GMX_GPU_NB_CLUSTER_SIZE...
tree
|
commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
tree
|
commitdiff
2021-06-24
Andrey Alekseenko
SYCL NBNXM: Use hand-crafted energy reduction
tree
|
commitdiff
2021-06-18
Andrey Alekseenko
Update device detection code for hipSYCL
tree
|
commitdiff
2021-06-17
Andrey Alekseenko
SYCL: Reduce the number of atomic ops in NBNXM fShift...
tree
|
commitdiff
2021-06-17
Mark Abraham
Rework -Weverything
tree
|
commitdiff
2021-06-11
Andrey Alekseenko
SYCL: Shorten mangled kernel name types
tree
|
commitdiff
2021-06-09
Andrey Alekseenko
Remove some unused-but-set variables
tree
|
commitdiff
2021-06-09
Joe Jordan
Expose and test getVdwKernelType
tree
|
commitdiff
2021-06-09
Paul Bauer
Add .clang-tidy file for nbnxn tests
tree
|
commitdiff
2021-06-08
Joe Jordan
CoulombKernelType enum, lookup function, and tests
tree
|
commitdiff
2021-06-04
Mark Abraham
Convert atomInfo to int64_t
tree
|
commitdiff
2021-06-03
Mark Abraham
Remove preprocessor usage for atomInfo
tree
|
commitdiff
2021-05-27
Artem Zhmurov
Rename GpuBonded into ListedForcesGpu
tree
|
commitdiff
2021-05-26
Mark Abraham
Fix clang-format
tree
|
commitdiff
2021-05-26
ejjordan
Remove foreign energy groups from gmx_enerdata_t
tree
|
commitdiff
2021-05-26
Szilárd Páll
Implement generic j-reduction in the nbnxm SYCL kernels
tree
|
commitdiff
2021-05-24
Paul Bauer
Apply clang-tidy-11 fixes to CUDA files
tree
|
commitdiff
2021-05-24
Joe Jordan
Remove forcerec from dispatchFreeEnergyKernel signature
tree
|
commitdiff
2021-05-20
Artem Zhmurov
Use MessageStringCollector class to construct error...
tree
|
commitdiff
2021-05-17
Artem Zhmurov
Move the stub for X buffer ops into OpenCL
tree
|
commitdiff
2021-05-17
Artem Zhmurov
Make NBNXM force getter available in all backends
tree
|
commitdiff
2021-05-14
Artem Zhmurov
Remove extra device force getter from NBNXM
tree
|
commitdiff
2021-05-11
Artem Zhmurov
Fix compiler warning and use static_assert
tree
|
commitdiff
2021-05-11
Mark Abraham
Apply clang-format-11
tree
|
commitdiff
2021-05-10
Andrey Alekseenko
Add SYCL implementation of GPU X buffer operations
tree
|
commitdiff
2021-05-10
Andrey Alekseenko
Make GPU X buffer ops platform-agnostic
tree
|
commitdiff
2021-05-07
Berk Hess
Make debug printing work with empty domains
tree
|
commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
tree
|
commitdiff
2021-05-05
Joe Jordan
Pass ArrayRefs to dispatchNonbondedKernel
tree
|
commitdiff
2021-04-27
ejjordan
Remove leftover function declaration from nbnxm atomdata
tree
|
commitdiff
2021-04-27
Joe Jordan
Unify constructor of nbnxn_atomdata_t
tree
|
commitdiff
2021-04-21
Szilárd Páll
Fix nbnxm hipSYCL kernels 64-wide exec on AMD
tree
|
commitdiff
2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
tree
|
commitdiff
2021-04-14
Joe Jordan
Pass forcerec arguments instead of forcerec to gmx_nb_f...
tree
|
commitdiff
2021-04-14
Paul Bauer
Modernize wallcycle counting
tree
|
commitdiff
2021-04-13
Joe Jordan
Use array for term and foreign_term in gmx_enerdata_t
tree
|
commitdiff
2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
tree
|
commitdiff
2021-04-12
Artem Zhmurov
Clean some headers in NBNXM GPU
tree
|
commitdiff
2021-04-10
ejjordan
Minor forcerec cleanup
tree
|
commitdiff
2021-04-03
Artem Zhmurov
Rename NBAtomData into NBAtomDataGpu
tree
|
commitdiff
2021-03-31
Artem Zhmurov
Unify gpu_free(...) function in OpenCL, CUDA and SYCL...
tree
|
commitdiff
2021-03-31
Artem Zhmurov
Fix conditional on when DtoH forces copy occur
tree
|
commitdiff
2021-03-30
Artem Zhmurov
Use default constructor for the device buffers that...
tree
|
commitdiff
2021-03-30
kanduri
Turn t_forcerec.shift_vec into an std::vector of gmx...
tree
|
commitdiff
2021-03-27
Andrey Alekseenko
Avoid enqueueing the same event multiple times in nbnxn...
tree
|
commitdiff
2021-03-26
Joe Jordan
Use ArrayRefs instead of mdatoms in gmx_nb_free_energy_...
tree
|
commitdiff
2021-03-26
Szilárd Páll
Allow setting nbnxm cluster size for SYCL
tree
|
commitdiff
2021-03-25
Artem Zhmurov
Unify gpu_upload_shiftvec(...) function in NBNXM
tree
|
commitdiff
2021-03-25
ejjordan
ArrayRef and const ref in gmx_nb_free_energy_kernel
tree
|
commitdiff
2021-03-24
Andrey Alekseenko
Unify nbnxn_gpu_init_x_to_nbat_x
tree
|
commitdiff
2021-03-24
ejjordan
Remove nb_kernel_data_t
tree
|
commitdiff
2021-03-24
ejjordan
Remove unneeded members from nb_kernel_data_t
tree
|
commitdiff
2021-03-22
Andrey Alekseenko
Remove incorrect assertion for GPU timing in SYCL
tree
|
commitdiff
2021-03-21
Artem Zhmurov
Move the atomToInteractionLocality(...) into locality.h
tree
|
commitdiff
2021-03-19
Artem Zhmurov
Unify init_gpu function in NBNXM
tree
|
commitdiff
2021-03-19
Joe Jordan
Make non bonded energy terms enum class
tree
|
commitdiff
2021-03-17
Andrey Alekseenko
Use DeviceBuffer in GPU update and NBNXM code
tree
|
commitdiff
2021-03-16
Artem Zhmurov
Unify gpu_init_atomdata(...) function
tree
|
commitdiff
2021-03-16
Artem Zhmurov
Unify gpu_launch_cpyback(...) function in NBNXM
tree
|
commitdiff
2021-03-16
Artem Zhmurov
Unify gpu_init_atomdata(...) function
tree
|
commitdiff
2021-03-15
Artem Zhmurov
Move pmalloc(..)/pfree(...) to separate source files...
tree
|
commitdiff
2021-03-15
Paul Bauer
Move M_PI definition to math/units.h
tree
|
commitdiff
2021-03-15
Artem Zhmurov
Do not overallocate shiftVec and fshifts buffers in...
tree
|
commitdiff
2021-03-11
Artem Zhmurov
Unify insertNonLocalDependency(...) function in NBNXM
tree
|
commitdiff
2021-03-10
Artem Zhmurov
Rework atom locality validity checks
tree
|
commitdiff
2021-03-10
Joe Jordan
Remove param fillLocal, which was always false, from...
tree
|
commitdiff
2021-03-10
Andrey Alekseenko
Revert "Wrap more device pointers in DeviceBuffer"...
tree
|
commitdiff
2021-03-10
Andrey Alekseenko
Wrap more device pointers in DeviceBuffer
tree
|
commitdiff
2021-03-09
Artem Zhmurov
Unify gpu_copy_xq_to_gpu(...) function
tree
|
commitdiff
2021-03-05
Andrey Alekseenko
Fix typo introduced during nbfp_comb refactoring
tree
|
commitdiff
2021-03-05
Szilárd Páll
Clarify the SYCL subgroup size on different targets
tree
|
commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
|
commitdiff
2021-03-04
Szilárd Páll
Simplify LJ parameter lookup
tree
|
commitdiff
2021-03-02
Andrey Alekseenko
Set up build with hipSYCL
tree
|
commitdiff
2021-02-24
Artem Zhmurov
Use GpuTimers in CUDA and OpenCL versions of NBNXM...
tree
|
commitdiff
2021-02-23
Artem Zhmurov
Use getAtomRanges(...) function in NBNXM more
tree
|
commitdiff
2021-02-22
Joe Jordan
Hold unique_ptr for interaction_const in forcerec
tree
|
commitdiff
2021-02-22
ejjordan
remove InteractionLocality from PairListSet constructor
tree
|
commitdiff
2021-02-22
Artem Zhmurov
Unify NB atoms and staging data structures in OpenCL...
tree
|
commitdiff
next