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Merge "Use git snapshots of the tests if are on git" into release-4-6
2013-04-22
Mark Abraham
Merge "Use git snapshots of the tests if are on git...
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2013-04-12
Mark Abraham
Merge "removed x86 specifics from nbnxn SIMD kernels...
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2013-04-12
Mark Abraham
Merge "corrected log file wall time breakdown" into...
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2013-04-12
Mark Abraham
Merge "made PME work with a mix of 1 and more threads...
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2013-03-12
Mark Abraham
Merge "fix broken things in mkhtml" into release-4-6
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2013-03-11
Mark Abraham
Added install guide section for BLAS/LAPACK
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2013-03-11
Mark Abraham
Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...
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2013-03-05
Mark Abraham
New patch release 4.6.1
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2013-03-05
Mark Abraham
Fix automated regression testing GMXLIB value
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2013-03-05
Mark Abraham
Fix regressiontests automated download
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2013-03-05
Mark Abraham
Update shell completions
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2013-03-05
Mark Abraham
Update outdated admin things
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2013-03-05
Mark Abraham
Updated install guide
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2013-03-05
Mark Abraham
Warn if X11 was not found and the user wanted it
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2013-03-05
Mark Abraham
fix broken things in mkhtml
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2013-02-26
Mark Abraham
Uncrustified code changes since 4.6
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-02-18
Mark Abraham
Fix CMake namespace pollution
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2013-02-15
Mark Abraham
Use explicit kernel pointer typecasts
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2013-02-15
Mark Abraham
Merge "Minor fixes to Verlet kernels" into release-4-6
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2013-02-15
Mark Abraham
Bump shared object version to 7
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2013-02-15
Mark Abraham
Merge "improved PME load balancing reporting" into...
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2013-02-15
Mark Abraham
Merge "Re-generated group kernels" into release-4-6
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2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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2013-02-15
Mark Abraham
Merge "More descriptive Verlet kernel macro parameter...
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2013-02-15
Mark Abraham
Minor fixes to Verlet kernels
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2013-02-15
Mark Abraham
Merge "Fix and add Verlet kernel error messages" into...
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2013-02-13
Mark Abraham
Fix code bug with thread-MPI on PowerPC with xlc
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2013-02-13
Mark Abraham
More descriptive Verlet kernel macro parameter names
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2013-02-13
Mark Abraham
Fix and add Verlet kernel error messages
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2013-02-13
Mark Abraham
Re-generated group kernels
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2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threading...
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2013-02-12
Mark Abraham
Merge "Fix CUDA_HOST_COMPILER flag name" into release-4-6
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2013-02-09
Mark Abraham
Typo fix
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2013-02-08
Mark Abraham
Merge "added back cuda.h includes to fix missing CUDA_VERSIO...
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2013-02-08
Mark Abraham
Merge "Fixed flop counting for generic cg/adress kernels...
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2013-02-08
Mark Abraham
Merge "cmake: fixed typo in template CMakeLists.txt...
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2013-02-05
Mark Abraham
Merge "improved load balancing on the GPU" into release-4-6
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2013-02-05
Mark Abraham
Documented what GMX_CPU_ACCELERATION really means
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2013-01-22
Mark Abraham
Merge "Illegal acceleration defaulted to QPX" into...
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2013-01-22
Mark Abraham
Merge "Re-licenced FindGROMACS.cmake (was written by...
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2013-01-22
Mark Abraham
Merge "Fix TOUPPER usage" into release-4-6
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2013-01-22
Mark Abraham
Merge "Updated html manual to 4.6" into release-4-6
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-18
Mark Abraham
Set version info for 4.6.x release series
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2013-01-18
Mark Abraham
New major release: 4.6
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
Added
Mark Abraham
, Christoph Junghans and
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2013-01-17
Mark Abraham
Updating the shell completion files
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2013-01-17
Mark Abraham
Gromacs install guide updates.
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2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performance...
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2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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2013-01-17
Mark Abraham
Merge "Fix trjconv -sub with .trr files" into release...
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2013-01-17
Mark Abraham
BlueGene/Q installation notes
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-17
Mark Abraham
Merge "Added mdp option 'calc-lambda-neighbors'." into...
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2013-01-17
Mark Abraham
Fix trjconv -sub with .trr files
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2013-01-17
Mark Abraham
Finally move OpenMM to contrib
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2013-01-16
Mark Abraham
Quiet stderr output, particularly for multi-simulations
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2013-01-15
Mark Abraham
Added check for valid wall_atomtype in .mdp
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2013-01-15
Mark Abraham
Merge "Hid nbnxn kernel names behind a lookup function...
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2013-01-15
Mark Abraham
Velocity-verlet integrators and v-rescale are broken
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2013-01-14
Mark Abraham
Added fatal error for constraints + L-BFGS minimizer
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2013-01-14
Mark Abraham
Hid nbnxn kernel names behind a lookup function
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2013-01-13
Mark Abraham
Updated code checks with distance restraints
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2013-01-13
Mark Abraham
Fixing trjconv -sub
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2013-01-13
Mark Abraham
Noting that and why gmxdump -s -sys is broken
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2013-01-13
Mark Abraham
Clarified some comments & warnings about thread pinning
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2013-01-13
Mark Abraham
Manage BlueGene/Q configuration
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2013-01-13
Mark Abraham
Re-organize BlueGene toolchain files
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2013-01-13
Mark Abraham
Changed defaults for building shared libraries
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2013-01-13
Mark Abraham
Merge "Added basic CPU topology information to cpuid...
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2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communicatio...
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2013-01-10
Mark Abraham
Merge "Fixes SSE/AVX compilation under Windows" into...
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2013-01-07
Mark Abraham
Reduce use of monolithic sets of compiler flags
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2013-01-04
Mark Abraham
Set CMake module search path at a better time
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2012-12-22
Mark Abraham
New beta release: 4.6-beta3
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2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 acceleration...
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2012-12-19
Mark Abraham
Merge "Always build template program" into release-4-6
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2012-12-19
Mark Abraham
Fix Reference build type
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2012-12-19
Mark Abraham
Removed orphan file
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2012-12-19
Mark Abraham
Avoid using undefined CMake variables
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2012-12-13
Mark Abraham
Fix typo
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2012-12-06
Mark Abraham
New beta release: 4.6-beta2
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2012-12-06
Mark Abraham
Apply LGPL license to new files
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2012-12-06
Mark Abraham
Updates for install guide
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2012-12-06
Mark Abraham
Eliminate confusion from pkgconfig FFTW detection
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2012-12-05
Mark Abraham
Merge "don't auto-set nvcc host compiler with cmake...
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2012-12-05
Mark Abraham
Merge "Keep FindCUDA quiet when it is not useful" into...
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2012-12-05
Mark Abraham
Merge "Remove TEST_TMPI_ATOMICS_ONLY" into release-4-6
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2012-12-05
Mark Abraham
Merge "Re-apply -dev version name between beta 1 and...
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2012-12-05
Mark Abraham
Merge "Fixed labelling of g_hbond plots" into release-4-6
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2012-12-05
Mark Abraham
Re-apply -dev version name between beta 1 and beta 2
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2012-12-05
Mark Abraham
Keep FindCUDA quiet when it is not useful
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-29
Mark Abraham
Merge "Initial commit of new install guide" into release-4-6
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2012-11-29
Mark Abraham
Merge "Bump version to 4.6-beta1" into release-4-6
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2012-11-29
Mark Abraham
Initial commit of new install guide
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