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Fix bug in GPU list balancing
[alexxy/gromacs.git]
/
src
/
mdlib
/
2015-07-06
Berk Hess
Fix bug in GPU list balancing
tree
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commitdiff
2015-06-29
Szilard Pall
Fix CUDA inter-stream synchronization issue
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commitdiff
2015-05-13
Berk Hess
Fixed CUDA error with empty domains
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commitdiff
2015-05-04
Berk Hess
Fixed GPU non-local F copy local conditional
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commitdiff
2015-02-12
Berk Hess
Re-fixed PME bug with high OpenMP thread count
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commitdiff
2014-12-09
Berk Hess
Fix recent bug with trilinic 1D DD
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commitdiff
2014-11-26
Berk Hess
Fixed triclinic 1xNx1 domain decomposition
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commitdiff
2014-09-09
Szilárd Páll
Fix malformed CUDA version macro check
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commitdiff
2014-08-28
Berk Hess
Fixed two PME issues with MPI+OpenMP
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commitdiff
2014-08-25
Berk Hess
Fixed bugs in vsiteN with OpenMP
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commitdiff
2014-08-02
Berk Hess
Fixed PME bug with high OpenMP thread count
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commitdiff
2014-06-24
Berk Hess
Fixed the sign of mass perturbed contribution
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commitdiff
2014-06-24
Erik Lindahl
Fixed recent bug with disp.corr. and vdwtype=shift
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commitdiff
2014-06-20
Berk Hess
Fixed shells with particle decomposition
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commitdiff
2014-06-19
Roland Schulz
Fix ref error in constraint pull code
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commitdiff
2014-06-18
Erik Lindahl
Fixed CMake 2.8.12+ CUDA dylib bugs and warnings on...
tree
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commitdiff
2014-06-17
Berk Hess
Removed rounding issue in nbnxn Ewald table
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commitdiff
2014-06-14
Berk Hess
Fixed PME bug with #OpenMP-threads a large prime
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commitdiff
2014-06-13
Berk Hess
Made shells work with the Verlet scheme
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commitdiff
2014-06-12
Berk Hess
Fixed perturbed wall interactions
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commitdiff
2014-06-05
Berk Hess
Fixed shift and switch modifiers, particularly for...
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commitdiff
2014-06-05
Berk Hess
Fix constraint virial with multiple time stepping
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commitdiff
2014-05-22
Mark Abraham
Add fatal errors for VV and twin-range MTS
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commitdiff
2014-05-20
Rossen Apostolov
Added a note about using direction-periodic pulling.
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commitdiff
2014-05-20
Rossen Apostolov
Added a note about unsupported Verlet cutoff + Buckingham.
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commitdiff
2014-04-29
Berk Hess
Removed truncation of nrdf in v-rescale thermostat
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commitdiff
2014-04-07
Erik Lindahl
Make sure water optimization is disabled for esoteric...
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commitdiff
2014-03-24
Berk Hess
Adds cut-off checks for triclinic domain decomposition
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commitdiff
2014-03-23
Berk Hess
Fixed bug in parallel v/f constraining
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commitdiff
2014-03-14
Carsten Kutzner
Avoid cross product with zero vector in rotational...
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commitdiff
2014-03-01
Mark Abraham
Add fatal error for Andersen+constraints+DD
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commitdiff
2014-02-28
Szilard Pall
Improved CUDA non-bonded kernel performance
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commitdiff
2014-02-21
Mark Abraham
Reinstate shell code with DD
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commitdiff
2014-02-20
Roland Schulz
Fix aligned store to unaligned memory
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commitdiff
2014-02-08
Mark Abraham
Issue fatal errors rather than use broken shell code
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commitdiff
2014-01-29
Mark Abraham
Keep clang Address Sanitizer happy
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commitdiff
2014-01-28
Mark Abraham
Remove unused fplog
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commitdiff
2014-01-28
Mark Abraham
Unify logic for timing counts
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commitdiff
2013-12-25
Carsten Kutzner
Essential dynamics: move bNeedDoEdsam evaluation to...
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commitdiff
2013-12-23
Carsten Kutzner
Fixed essential dynamics (ED) continuation from .cpt...
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commitdiff
2013-11-19
Szilárd Páll
Fix DD load balancing bug with GPU sharing
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commitdiff
2013-11-15
Berk Hess
corrected potential nbnxn SIMD memory issue
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commitdiff
2013-11-08
Berk Hess
fix nbnxn atom sorting with distant bondeds
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commitdiff
2013-11-07
Berk Hess
corrected dynamic load balancing when sharing GPUs
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commitdiff
2013-11-06
Szilard Pall
enable GPU sharing among tMPI ranks
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commitdiff
2013-11-05
Berk Hess
removed (harmless) left-over in nbnxn SIMD kernels
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commitdiff
2013-10-31
Berk Hess
reorganized GPU detection and selection
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commitdiff
2013-10-31
Mark Abraham
Rename GMX_IS_* to GMX_TARGET_*
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commitdiff
2013-10-26
Roland Schulz
Fix NBNxN SIMD reference kernels
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commitdiff
2013-10-22
Berk Hess
fixed recent bug with CUDA texture objects
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commitdiff
2013-10-18
Mark Abraham
BlueGene/Q Verlet cut-off scheme kernels
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commitdiff
2013-10-17
Roland Schulz
Fix SIMD C reference nbnxn kernels
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commitdiff
2013-10-17
Michael Shirts
Restarting from checkpoint no longer reinitializes...
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commitdiff
2013-10-15
Szilard Pall
make use of CUDA stream priorities
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commitdiff
2013-10-14
Szilard Pall
use CUDA texture objects when supported
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commitdiff
2013-10-11
Berk Hess
introduced general 4-wide SIMD support
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commitdiff
2013-10-10
Berk Hess
fixed nbnxn 4x8 pair search without AVX
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commitdiff
2013-10-03
Christoph Junghans
Fix parallel build for GMX_BUILD_OWN_FFTW
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commitdiff
2013-10-01
Mark Abraham
Silence clang warnings
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commitdiff
2013-09-29
Szilard Pall
allow compilation to optimize for CUDA compute cap...
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commitdiff
2013-09-26
Michael Shirts
logic fix for free energies with mdrun -rerun
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commitdiff
2013-09-25
Erik Lindahl
Fix bug in (long) neighborlist SIMD padding when adding...
tree
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commitdiff
2013-09-21
Berk Hess
fixed multiple distance restraints with OpenMP
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commitdiff
2013-09-20
Mark Abraham
Fix total time measurement with separate PME nodes
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commitdiff
2013-08-25
Mark Abraham
Split up Verlet SIMD kernels for faster compilation
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commitdiff
2013-08-25
Berk Hess
introduced nbnxn data structure for bounding boxes
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commitdiff
2013-08-25
Mark Abraham
Consolidated NBNxN SIMD kernel utility routines
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commitdiff
2013-08-25
Mark Abraham
Fix minor wallcycle output issues
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commitdiff
2013-08-25
Mark Abraham
Fixed GMX_DD_DUMP_GRID
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commitdiff
2013-08-20
Berk Hess
fixed parallel normal modes with PME
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commitdiff
2013-08-02
Michael Shirts
Fixing problem caused by overflow in expanded ensemble.
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commitdiff
2013-08-01
Mark Abraham
Refactored preparation of buffer for NBNxN table loads
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commitdiff
2013-07-24
Berk Hess
implemented plain-C SIMD macros for reference
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commitdiff
2013-07-24
Mark Abraham
Removed buggy -seppot output
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commitdiff
2013-07-11
Mark Abraham
Fixed typos in #include guard #defines
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commitdiff
2013-07-06
Christoph Junghans
more pkg-config fixes
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commitdiff
2013-07-04
Christoph Junghans
Fixed some inconsistencies in pkg-config files
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commitdiff
2013-07-01
Sander Pronk
Comprehensive hwinfo structure concurrency fix.
tree
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commitdiff
2013-06-28
Justin Lemkul
Minor tweaks to qm_orca.c
tree
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commitdiff
2013-06-20
Berk Hess
fixed SD and BD integrator OpenMP performance
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commitdiff
2013-06-20
Berk Hess
flops table now reports CUDA analytical Ewald
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commitdiff
2013-06-05
Berk Hess
fixed DD internal state corruption with energy minimization
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commitdiff
2013-05-30
Szilárd Páll
fix unnecessary switch to polling GPU wait
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commitdiff
2013-05-30
Michael Shirts
Fixing the constraint dhdl term in shake
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commitdiff
2013-05-30
Mark Abraham
Work around for correct treatment of all-vs-all
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commitdiff
2013-05-28
Carsten Kutzner
Fixed calculation of slab buffer size for flexible...
tree
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commitdiff
2013-05-28
Carsten Kutzner
Fix for a rare condition in flexible rotation potentials.
tree
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commitdiff
2013-05-27
Szilard Pall
minor function argument cleanup
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commitdiff
2013-05-27
Carsten Kutzner
Code cleanup in enforced rotation module, remove warnings.
tree
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commitdiff
2013-05-26
Michael Shirts
Fix of memory leak
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commitdiff
2013-05-21
Michael Shirts
Fixed problem with bond constraint dhdl being left out
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commitdiff
2013-05-16
Carsten Kutzner
Choose the PBC image of each rotation group atom depending
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commitdiff
2013-05-15
Christoph Junghans
Merge "fixed incorrect scaling of cos-acceleration...
tree
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commitdiff
2013-05-10
Sander Pronk
Merge "Fixing handling of perturbation mass changes...
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commitdiff
2013-05-10
Mark Abraham
Merge "Fixes "Function type U-B not implemented in...
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commitdiff
2013-05-08
Berk Hess
fixed incorrect scaling of cos-acceleration viscosity
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commitdiff
2013-04-30
Michael Shirts
Fixing handling of perturbation mass changes.
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commitdiff
2013-04-29
Carsten Kutzner
Evaluate enforced rotation potenial with Verlet, fixes...
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commitdiff
2013-04-29
Mark Abraham
Merge "Update linking to MKL and document same" into...
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commitdiff
2013-04-29
Mark Abraham
Merge "general SIMD acceleration for angles+dihedrals...
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