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Clarify the GMX_BUILD_MDRUN_ONLY full testing instructions.
[alexxy/gromacs.git]
/
src
/
2020-10-08
Andrey Alekseenko
Add explicit types to NB kernel type enums
tree
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commitdiff
2020-10-08
Andrey Alekseenko
Set CUDA hardware constants for CC 7.5, 8.6
tree
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commitdiff
2020-10-08
Andrey Alekseenko
Device management: Add SYCL GpuEventSynchronizer
tree
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commitdiff
2020-10-08
Andrey Alekseenko
Activate SYCL build on CI
tree
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commitdiff
2020-10-08
Artem Zhmurov
Add Andrey Alekseenko to the list of authors
tree
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commitdiff
2020-10-07
Andrey Alekseenko
Add GpuRegionTimer for SYCL
tree
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commitdiff
2020-10-07
Erik Lindahl
New release, new quotes!
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commitdiff
2020-10-07
Mark Abraham
Update to oneAPI beta09
tree
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commitdiff
2020-10-07
Andrey Alekseenko
Make LeapFrogGpu less tied to CUDA
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commitdiff
2020-10-07
Andrey Alekseenko
mdlib/tests/leapfrog: Make GPU tests more platform...
tree
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commitdiff
2020-10-07
Paul Bauer
Fix SYCL compilation
tree
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-10-06
Artem Zhmurov
Remove unused canComputeOnGpu(...) function from device...
tree
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commitdiff
2020-10-06
Paul Bauer
Set proper deviceVendor with SYCL
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commitdiff
2020-10-06
Artem Zhmurov
Simplify GPU usage decision function signatures
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commitdiff
2020-10-06
Andrey Alekseenko
Fix logic in init_ewald_coulomb_force_table
tree
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commitdiff
2020-10-06
Artem Zhmurov
Use new GPU infrastructure in MDLib tests
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commitdiff
2020-10-05
Paul Bauer
Always set DeviceVendor
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commitdiff
2020-10-05
Paul Bauer
Fix debug message location
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commitdiff
2020-10-05
Paul Bauer
Add muparser and CMake handling
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commitdiff
2020-10-05
Paul Bauer
Fix doxygen warnings
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commitdiff
2020-10-05
Pascal Merz
Fix ForceBuffers compiler warning
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commitdiff
2020-10-02
Mark Abraham
Cleaned up CUDA compilation
tree
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commitdiff
2020-10-02
Paul Bauer
Work-around for RDRAND returning -1 on Ryzen
tree
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commitdiff
2020-10-02
Paul Bauer
Remove anonymous namespace in ARM SVE header
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commitdiff
2020-10-02
Joe Jordan
Add tests for setStringEntry
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commitdiff
2020-10-02
Mark Abraham
Update GoogleTest to v1.8.1
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commitdiff
2020-10-02
Christian Blau
Fix FEP lambda interpolation for reruns
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commitdiff
2020-10-02
Alan Gray
Use workload data structures for GPU halo exchange...
tree
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commitdiff
2020-10-02
Gilles Gouaillardet
arm_sve: fix decr3Hsimd()
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commitdiff
2020-10-01
Gilles Gouaillardet
hardware: detect ARM SVE architecture at runtime
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commitdiff
2020-10-01
Gilles Gouaillardet
cmake: use simd support for ARM+SVE
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commitdiff
2020-10-01
Gilles Gouaillardet
simd: add support for aarch64+sve (ARM_SVE)
tree
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commitdiff
2020-10-01
Gilles Gouaillardet
simd: revamp the (templated) decr3Hsimd() subroutine
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commitdiff
2020-10-01
Andrey Alekseenko
Remove ensureReferenceCount from OpenCL's GpuEventSynch...
tree
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commitdiff
2020-10-01
Artem Zhmurov
Add missing include into the tests comparison helper
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commitdiff
2020-10-01
Paul Bauer
Break up MPI tests
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commitdiff
2020-10-01
Berk Hess
Move computeSlowForces into stepWork
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commitdiff
2020-10-01
Christian Blau
Fix the FEP lambda interpolation
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commitdiff
2020-10-01
Andrey Alekseenko
Device management: Add SYCL DeviceBuffer
tree
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commitdiff
2020-09-30
Pascal Merz
Regression-test-style Google tests for FEP
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commitdiff
2020-09-30
Andrey Alekseenko
Squash SYCL DeviceContext and DeviceStream
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commitdiff
2020-09-30
Berk Hess
Move computeSlowForces into stepWork
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commitdiff
2020-09-30
Paul Bauer
Update CI on 2020 branch
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commitdiff
2020-09-30
Mark Abraham
Fix warnings issued by clang with nvcc
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commitdiff
2020-09-30
Pascal Merz
Fix bug resetting mdatoms masses to lambda=0 state
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commitdiff
2020-09-30
Pascal Merz
Fix #3655
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commitdiff
2020-09-30
Pascal Merz
Fix #3694
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commitdiff
2020-09-30
Artem Zhmurov
Restore destructor for GpuTest and gmx_hw_info_t
tree
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commitdiff
2020-09-29
Pascal Merz
Fix bug resetting mdatoms masses to lambda=0 state
tree
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commitdiff
2020-09-29
Paul Bauer
Fix doxygen warnings
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commitdiff
2020-09-29
Artem Zhmurov
Don't use fah_fsync
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commitdiff
2020-09-29
Artem Zhmurov
Remove two-stage initialization in DeviceStream
tree
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commitdiff
2020-09-29
Alan Gray
Redevelopment of GPU Force Reduction/Buffer Ops
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commitdiff
2020-09-29
M. Eric Irrgang
Allow MPI-enabled clients to provide the library commun...
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commitdiff
2020-09-29
M. Eric Irrgang
Interface updates allowing client to provide MPI commun...
tree
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commitdiff
2020-09-28
Alan Gray
Remove single-dimension limitation from GPU halo exchange
tree
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commitdiff
2020-09-28
Andrey Alekseenko
Fix error in ensureReferenceCount
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commitdiff
2020-09-28
Berk Hess
Fix dispersion correction table generation
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commitdiff
2020-09-28
Giovanni Bussi
Fixed incorrect enum
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commitdiff
2020-09-28
Artem Zhmurov
add detection of CPX 5300 w/ 2FMAs
tree
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commitdiff
2020-09-27
Pascal Merz
Compare trajectories to reference data
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commitdiff
2020-09-27
Pascal Merz
Roll back "Ensure the modular simulator runs only when...
tree
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commitdiff
2020-09-25
Andrey Alekseenko
Fix #3668
tree
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commitdiff
2020-09-25
Pascal Merz
Replace FramesToCompare enum by MaxNumFrames
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commitdiff
2020-09-25
Mark Abraham
Ensure the modular simulator runs only when it should
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commitdiff
2020-09-25
Berk Hess
Fix grompp group handling with frozen system
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commitdiff
2020-09-24
Szilárd Páll
Improve OpenCL log/error reporting
tree
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commitdiff
2020-09-23
Andrey Alekseenko
Fix false-positives in checkDeviceBuffer for OpenCL
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commitdiff
2020-09-23
Mark Abraham
Report name of missing OpenCL kernels
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commitdiff
2020-09-23
Pascal Merz
Access write checkpoint functionality directly
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commitdiff
2020-09-23
Pascal Merz
Implement Berendsen thermostat for modular simulator
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commitdiff
2020-09-23
Mark Abraham
Permit comparison of only first frames
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commitdiff
2020-09-22
Mark Abraham
Split mdrun-test
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commitdiff
2020-09-22
Andrey Alekseenko
Draft: Fix compilation
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commitdiff
2020-09-22
Christian Blau
Nelder-Mead downhill simplex optimisation
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commitdiff
2020-09-21
Pascal Merz
Checkpointdata DD followup
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commitdiff
2020-09-21
Mark Abraham
Wrong logic was used
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commitdiff
2020-09-21
Gilles Gouaillardet
simd/impl_none: add missing macros
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commitdiff
2020-09-21
Magnus Lundborg
AWH avoid constructors only differing in parameter...
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commitdiff
2020-09-21
Artem Zhmurov
Do not run PinnedMemoryCheckerTest when there are no...
tree
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commitdiff
2020-09-20
Andrey Alekseenko
Add NVIDIA GPU compatibility check, following issue...
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commitdiff
2020-09-20
Artem Zhmurov
Set active device when the device stream manager is...
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commitdiff
2020-09-20
Artem Zhmurov
Allow using old environment variables, but print deprec...
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commitdiff
2020-09-18
Pascal Merz
Refactor v-rescale thermostat to allow for other algorithms
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commitdiff
2020-09-18
M. Eric Irrgang
Improve naming and docs.
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commitdiff
2020-09-18
Berk Hess
Remove cutoff_scheme from t_forcerec and interaction_co...
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commitdiff
2020-09-18
M. Eric Irrgang
Document a Mdrunner::BuilderImplementation member.
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commitdiff
2020-09-17
Berk Hess
Move bNonbonded flag from t_forcerec to SimulationWorkload
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commitdiff
2020-09-17
Gilles Gouaillardet
hardware: only check RDTSCP on x86 platforms
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commitdiff
2020-09-17
Pascal Merz
Rename VRescaleThermostat to VelocityScalingTemperature...
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commitdiff
2020-09-17
Artem Zhmurov
Remove the CPU hardware context from the general list...
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commitdiff
2020-09-17
David van der Spoel
Add release notes
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commitdiff
2020-09-16
Berk Hess
Remove unnecessary condition in DD force buffer resizing
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commitdiff
2020-09-16
Sebastian Keller
Reduce transitive dependencies in arrayref.h
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commitdiff
2020-09-16
Paul Bauer
Break off some tests from mdrun tests
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commitdiff
2020-09-16
Christian Blau
Extend user docs on affine transformations for densities
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commitdiff
2020-09-16
Pascal Merz
Implement modular checkpointing
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commitdiff
2020-09-15
Artem Zhmurov
Use common device context header for OpenCL
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commitdiff
2020-09-15
Paul Bauer
Break off some tests from mdrun tests
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