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Fix bug in GPU list balancing
[alexxy/gromacs.git]
/
src
/
gmxlib
/
2015-06-27
Erik Lindahl
Fix single-prec. softcore issue in 4.6 branch
tree
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commitdiff
2015-06-26
Erik Lindahl
Fix buffer size issues in string database
tree
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commitdiff
2015-06-25
Erik Lindahl
Fix edr appending and exact continuation
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commitdiff
2015-06-08
Szilard Pall
add last two GROMACS paper citations
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commitdiff
2014-11-26
Ake Sandgren
Fix problem with mixed affinity mask on different nodes.
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commitdiff
2014-08-11
Stefan Fleischmann
Avoid stack overflow on Windows with CMake > 2.8.10.2
tree
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commitdiff
2014-06-24
Rossen Apostolov
Extend version checking/warnings for checkpoint continu...
tree
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commitdiff
2014-06-20
Roland Schulz
Fix that seeking was wrong if frame time was modified
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commitdiff
2014-06-18
Erik Lindahl
Fixed CMake 2.8.12+ CUDA dylib bugs and warnings on...
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commitdiff
2014-06-18
Berk Hess
Fixed sign error in posres dvdl
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commitdiff
2014-06-17
Roland Schulz
Fix that skipping fails if target is 2nd frame
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commitdiff
2014-06-13
Berk Hess
Changed appending file name error message
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commitdiff
2014-06-13
Berk Hess
Made shells work with the Verlet scheme
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commitdiff
2014-06-05
Berk Hess
Fixed shift and switch modifiers, particularly for...
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commitdiff
2014-05-09
Alexey Shvetsov
Fix clang 3.5 warnings regarding *abs*
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commitdiff
2014-04-22
Roland Schulz
Fix memory error in asc format IO
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commitdiff
2014-04-07
Erik Lindahl
Make sure water optimization is disabled for esoteric...
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commitdiff
2014-02-20
Christoph Junghans
added gmx_is_{single,double}_precision
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commitdiff
2014-02-20
Mark Abraham
avoid mdrun crash when rdtscp is not supported
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commitdiff
2014-01-08
Peter Kasson
Checkpointing fix for Native Client
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commitdiff
2013-12-29
Peter Kasson
Patch for Native Client builds.
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commitdiff
2013-12-19
Mark Abraham
Fix non-critical typo in #ifdef GMX_OMPEN_MP
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commitdiff
2013-11-26
Berk Hess
Fixed return value of gmx_mtop_bondeds_free_energy
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commitdiff
2013-11-19
Szilárd Páll
Fix DD load balancing bug with GPU sharing
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commitdiff
2013-11-13
Szilard Pall
Clarified GPU selection output and mdrun help
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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
GPU detection is done once per physical node
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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
2013-10-22
Berk Hess
fixed OpenMP threads being pinned to the same cores
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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
Michael Shirts
Restarting from checkpoint no longer reinitializes...
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commitdiff
2013-10-16
Berk Hess
avoid division by zero in SIMD angles and dihedrals
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commitdiff
2013-10-02
Berk Hess
Fixes reaction field free energy bug
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commitdiff
2013-09-21
Berk Hess
fixed multiple distance restraints with OpenMP
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commitdiff
2013-09-19
Mark Abraham
Fixed reading history_t from checkpoint
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commitdiff
2013-09-18
Berk Hess
made free energy PME kernel 40% faster
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commitdiff
2013-08-25
Mark Abraham
Fix detection and suggestion in gmx_cpuid for IBM QPX
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commitdiff
2013-08-01
Carsten Kutzner
Properly finalize MPI on mdrun -version. Fixes #1313
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commitdiff
2013-07-25
Mark Abraham
Update management of linear algebra libraries
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commitdiff
2013-07-24
Berk Hess
implemented plain-C SIMD macros for reference
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commitdiff
2013-07-14
Mark Abraham
Fixed possible dereference of null pointer
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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.
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commitdiff
2013-06-25
Szilard Pall
added CUDA compiler flags to version header
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commitdiff
2013-06-07
Pedro Lacerda
Add a GMX_NO_CREDITS variable to not show credits
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commitdiff
2013-06-04
Sander Pronk
Fixed inconsistent locality_order array for thread...
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commitdiff
2013-06-04
Sander Pronk
Fixed deadlock on Mac OS X during thread affinity check.
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commitdiff
2013-05-30
Szilard Pall
fix thread-safety issue in affinity layout detection
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commitdiff
2013-05-30
Szilard Pall
fix thread offset + stride check
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commitdiff
2013-05-30
David van der Spoel
Fixes #1194 error reading 4.5.5 tpr files with dihres
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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
Teemu Murtola
Fix an error in selection online help.
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commitdiff
2013-05-24
Sander Pronk
Fixed a potential race condition in tMPI_Thread_create()
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commitdiff
2013-05-21
Michael Shirts
Fixed problem with bond constraint dhdl being left out
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commitdiff
2013-05-21
Erik Lindahl
Fujitsu Sparc64 acceleration and general fixes for...
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commitdiff
2013-05-21
Sander Pronk
New version of thread_mpi with many minor enhancements
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commitdiff
2013-05-17
Mark Abraham
Introduce fatal error for GB with FE
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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
2013-05-10
Mark Abraham
Merge "improve build with OpenMM, still not 100% fixed...
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commitdiff
2013-05-10
Mark Abraham
Merge "fixing rerun with free energy + .xtc or .gro...
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commitdiff
2013-05-08
Michael Shirts
fixing rerun with free energy + .xtc or .gro
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commitdiff
2013-05-07
Mark Abraham
Fix extant references to former GPL licensing
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commitdiff
2013-04-29
Magnus Lundborg
Fixes "Function type U-B not implemented in ip_pert."
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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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commitdiff
2013-04-29
Mark Abraham
Merge "PME load balancing now checks for PME grid restr...
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commitdiff
2013-04-29
Berk Hess
general SIMD acceleration for angles+dihedrals
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commitdiff
2013-04-29
Mark Abraham
Merge "Fixing a problem with dh/dl 1-4 interactions...
tree
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commitdiff
2013-04-26
Mark Abraham
Merge "CUDA PME kernels with analytical Ewald correctio...
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commitdiff
2013-04-26
Mark Abraham
Merge "improved load balancing with Verlet cut-off...
tree
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commitdiff
2013-04-26
Michael Shirts
Fixing a problem with dh/dl 1-4 interactions
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commitdiff
2013-04-26
Mark Abraham
Update linking to MKL and document same
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commitdiff
2013-04-26
Christoph Junghans
Merge "v-rescale works with tau-t >= 0" into release-4-6
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commitdiff
2013-04-25
Mark Abraham
Merge "Merge branch 'release-4-5-patches'" into release-4-6
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commitdiff
2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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commitdiff
2013-04-13
David van der Spoel
Merge "added mdrun check for Verlet+perturbed atoms...
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commitdiff
2013-04-10
Teemu Murtola
Fix another bug in selection subexpression handling.
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commitdiff
2013-04-10
Teemu Murtola
Fix bug in selection subexpression handling.
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commitdiff
2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-03-19
Christoph Junghans
Merge "Essential dynamics: fixed legend in ED .xvg...
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commitdiff
2013-03-12
Mark Abraham
Merge "fix broken things in mkhtml" into release-4-6
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commitdiff
2013-03-11
Mark Abraham
Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...
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commitdiff
2013-03-06
Roland Schulz
Merge "fixed PME time print with -ntomp_pme != -ntomp...
tree
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commitdiff
2013-03-05
Roland Schulz
Fixes linkage with FFTW + MKL for BLAS/LAPACK
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commitdiff
2013-03-02
Christoph Junghans
Merge "Uncrustified code changes since 4.6" into releas...
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commitdiff
2013-02-26
Mark Abraham
Uncrustified code changes since 4.6
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commitdiff
2013-02-25
Michael Shirts
fix imcompatibility with tpr vers<64 with free energy...
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commitdiff
2013-02-20
Berk Hess
fixed issues with FEP soft-core and cut-off's
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commitdiff
2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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commitdiff
2013-02-15
Mark Abraham
Use explicit kernel pointer typecasts
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commitdiff
2013-02-15
Mark Abraham
Merge "Minor fixes to Verlet kernels" into release-4-6
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commitdiff
2013-02-15
Mark Abraham
Merge "improved PME load balancing reporting" into...
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commitdiff
2013-02-15
Mark Abraham
Merge "Re-generated group kernels" into release-4-6
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commitdiff
2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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commitdiff
2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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commitdiff
2013-02-15
Mark Abraham
Merge "More descriptive Verlet kernel macro parameter...
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commitdiff
2013-02-15
Mark Abraham
Merge "Fix and add Verlet kernel error messages" into...
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commitdiff
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