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alexxy/gromacs.git
2013-01-03
Justin Lemkul
Fixed format error in online manual.
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2013-01-03
Christoph Junghans
Merge "Remove non-functional PowerPC invsqrt." into...
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2012-12-30
Erik Lindahl
Merge "Thread-MPI fixes for i386 llvm & simplification...
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2012-12-30
Teemu Murtola
Remove non-functional PowerPC invsqrt.
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2012-12-30
Christoph Junghans
cmake: add option to install libmd as libgmxmd
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2012-12-29
Sander Pronk
Thread-MPI fixes for i386 llvm & simplification of...
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2012-12-22
Mark Abraham
New beta release: 4.6-beta3
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2012-12-22
Christoph Junghans
cmake: mark FFTW_HAVE_{SIMD,AVX} as advanced
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2012-12-22
Roland Schulz
Add missing visibility exports
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2012-12-21
Christoph Junghans
Merge "Remove non-functional compiler override for...
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2012-12-21
Erik Lindahl
Fixed gmx_cpuid not working on non-x86
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2012-12-21
Teemu Murtola
Remove non-functional compiler override for MacOSX.
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2012-12-20
Szilard Pall
fix incorrect gmx_fatal argument order
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2012-12-20
Erik Lindahl
Merge "cmake: added option to disable quotes" into...
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2012-12-20
Erik Lindahl
Merge "Small fix for g_tune_pme" into release-4-6
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2012-12-20
Erik Lindahl
Merge "Fixes for andersen temperature control" into...
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2012-12-20
Erik Lindahl
Merge "Fixes for expanded ensemble and HREPEX" into...
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2012-12-20
Christoph Junghans
Merge "Fixed AVX256 double-precision kernels for gcc...
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2012-12-20
Christoph Junghans
cmake: added option to disable quotes
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2012-12-20
Michael Shirts
Fixes for andersen temperature control
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2012-12-20
Michael Shirts
Fixes for expanded ensemble and HREPEX
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2012-12-20
Erik Lindahl
Fixed AVX256 double-precision kernels for gcc
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2012-12-20
Michael Shirts
Fix for the pressure in MTTK with constraints + dispersion
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2012-12-20
Carsten Kutzner
Small fix for g_tune_pme
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2012-12-20
Berk Hess
fixed recent bugs in LINCS for derivatives
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2012-12-19
Mark Abraham
Merge "Remove the rest of the fortran/power6 accelerati...
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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
Szilárd Páll
Merge "Avoid using undefined CMake variables" into...
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2012-12-19
Szilárd Páll
Merge "Removed orphan file" into release-4-6
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2012-12-19
Roland Schulz
Merge "Fix license text printed by programs." into...
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2012-12-19
Roland Schulz
Merge changes Idc652236,If03cf569 into release-4-6
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2012-12-19
Roland Schulz
Merge "issue error if GPU ID is provided with GPU acc...
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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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2012-12-18
Christoph Junghans
Merge "Fixes redmine issue #1071" into release-4-6
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2012-12-18
Szilard Pall
issue error if GPU ID is provided with GPU acc. off
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2012-12-18
Berk Hess
renamed gmx_x86_simd_macros.h to gmx_simd_macros.h
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2012-12-18
Berk Hess
implemented nbnxn AVX-256 2x(N+N) kernels
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2012-12-17
Szilárd Páll
Merge "reduced PLINCS communication with H-bond constra...
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2012-12-17
Teemu Murtola
Fix license text printed by programs.
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2012-12-17
Christoph Junghans
Remove the rest of the fortran/power6 acceleration
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2012-12-14
Michael Shirts
Fixes redmine issue #1071
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2012-12-13
Mark Abraham
Fix typo
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2012-12-13
Christoph Junghans
Always build template program
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2012-12-11
Christoph Junghans
Merge "Fix compilation with PGI" into release-4-6
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2012-12-11
Berk Hess
reduced PLINCS communication with H-bond constraints
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2012-12-10
Christoph Junghans
Merge "force C++ linking of the gpu_utils" into release-4-6
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2012-12-09
Roland Schulz
Merge "fixed GPU pair-search with GMX_CPU_ACCELERATION...
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2012-12-09
Roland Schulz
Merge "Fix build of template and other external code...
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2012-12-08
Roland Schulz
Fix compilation with PGI
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2012-12-07
Berk Hess
fixed GPU pair-search with GMX_CPU_ACCELERATION=None
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2012-12-06
Roland Schulz
Make SSE4.1 warning clearer
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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
Michael Shirts
Removing (inaccurate) virial temperature calc.
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2012-12-06
Teemu Murtola
Fix build of template and other external code.
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2012-12-06
Sebastian Fritsch
Re-enable AdResS feature
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2012-12-06
Berk Hess
removed last OpenMP O(nthreads) bottleneck
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2012-12-06
Mark Abraham
Eliminate confusion from pkgconfig FFTW detection
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2012-12-05
Szilard Pall
don't warn during configuring if no GPUs were found
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2012-12-05
Christoph Junghans
fixed obsolete gmx_fatal in OpenMM build
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2012-12-05
Szilard Pall
first step toward moving OpenMM support to contrib
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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
Roland Schulz
Merge "fixed segv in Verlet pair-search with trilinic...
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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
Roland Schulz
Merge "fixed incorrect virial with virtual sites and...
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2012-12-05
Roland Schulz
Remove TEST_TMPI_ATOMICS_ONLY
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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
Berk Hess
fixed incorrect virial with virtual sites and OpenMP
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2012-12-05
Mark Abraham
Keep FindCUDA quiet when it is not useful
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2012-12-05
Berk Hess
fixed segv in Verlet pair-search with trilinic DD
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2012-12-05
Erik Marklund
Fixed labelling of g_hbond plots
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2012-12-05
Szilard Pall
don't auto-set nvcc host compiler with cmake >2.8.9
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2012-11-30
Szilard Pall
force C++ linking of the gpu_utils
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2012-11-30
Berk Hess
fixed issue with -multi and GPUs
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2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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2012-11-29
Szilard Pall
made errors during GPU detection non-fatal
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2012-11-29
Szilard Pall
fix cmake re-running failure introduced by ef1127f
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2012-11-29
Mark Abraham
Merge "Initial commit of new install guide" into releas...
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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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2012-11-29
Mark Abraham
Bump version to 4.6-beta1
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2012-11-29
Mark Abraham
Merge "Added .gitignore for kernel generation" into...
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2012-11-29
Mark Abraham
Merge "Double precision AVX-256 kernels" into release-4-6
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2012-11-29
Mark Abraham
Added .gitignore for kernel generation
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2012-11-29
Mark Abraham
Merge "Fixing issue with GPU detection reporting" into...
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2012-11-29
Mark Abraham
Merge "Double precision AVX_128_FMA kernels" into relea...
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2012-11-29
Mark Abraham
Merge "Fix: pthread variables were overwritten by gmxMa...
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2012-11-29
Erik Lindahl
Double precision AVX-256 kernels
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2012-11-29
Erik Lindahl
Double precision AVX_128_FMA kernels
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2012-11-29
Mark Abraham
Fixing issue with GPU detection reporting
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2012-11-29
Christoph Junghans
Merge "Print error if no thread support is available...
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2012-11-29
Mark Abraham
Refuse to build with clang 3.0
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2012-11-29
Mark Abraham
Add a CMake warning about FFTW with --enable-avx
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2012-11-29
Mark Abraham
Merge "automation for setting GMX_GPU & cmake GPU detec...
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