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Merge release-4-5-patches into release-4-6
2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Fix typo
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2013-01-18
Roland Schulz
Code beautification with uncrustify
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2013-01-18
Roland Schulz
Add colon after macro to help uncrustify
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2013-01-18
Roland Schulz
Fix reading of g96 title
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2013-01-17
Roland Schulz
Merge "Merge branch 'release-4-5-patches' into release...
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2013-01-17
Roland Schulz
Remove unnecessary ICC flags affecting performance
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2013-01-17
Roland Schulz
Merge "clarify wording of GPU driver-related notes...
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2013-01-17
Roland Schulz
Merge "Added check for valid wall_atomtype in .mdp...
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2013-01-17
Roland Schulz
Run regressiontests from build
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2013-01-17
Roland Schulz
Fix confusing gmx_header_config.h include
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2013-01-16
Roland Schulz
Don't cache ${FFTW}_HAVE_(SIMD|AVX)
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2013-01-15
Roland Schulz
Fix missing replacement/typo
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2013-01-13
Roland Schulz
Merge "Fixes for md-vv and rerun" into release-4-6
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2013-01-13
Roland Schulz
Merge "fixed resetting states with parallel Verlet...
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2013-01-13
Roland Schulz
Proper fix for copyrite cuda dependence
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2013-01-13
Roland Schulz
Merge "prepared the nbnxn code for non-x86 SIMD" into...
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2013-01-11
Roland Schulz
Merge "time the GPU force clearing async launch overhead...
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-11
Roland Schulz
Added missing export
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2013-01-11
Roland Schulz
Merge "Handle compiler flags more flexibly" into release-4-6
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2013-01-10
Roland Schulz
Remove incorrect assert added by 05f9a740
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2013-01-10
Roland Schulz
Handle compiler flags more flexibly
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2013-01-10
Roland Schulz
Merge "Move Windows shared/static options to later...
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2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
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2013-01-10
Roland Schulz
Move Windows shared/static options to later point
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2013-01-10
Roland Schulz
Remove workaround
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2013-01-09
Roland Schulz
Merge "Added work-around for gcc bug in AVX intrinsincs...
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2013-01-09
Roland Schulz
Merge "Add check to remove zero Charmm dihedrals" into...
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2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
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2013-01-08
Roland Schulz
Merge "Reduce use of monolithic sets of compiler flags...
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2013-01-07
Roland Schulz
Merge "fixed nbnxn AVX-256 Ewald table pointer alignment...
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2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
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2013-01-07
Roland Schulz
Merge "Print out atom numbers in g_rmsf" into release...
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2013-01-07
Roland Schulz
Fix CUDA being quiet and mark all CUDA_* as advanced
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2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
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2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
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2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into release-4-6
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2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
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2013-01-07
Roland Schulz
Merge "Essential dynamics: fixed restarts when ED group...
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2013-01-07
Roland Schulz
Merge "minor speed-up and code clean-up in nbnxn kernels...
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2013-01-03
Roland Schulz
Merge "Fixed GMXRC so we are not polluting standard...
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2012-12-22
Roland Schulz
Add missing visibility exports
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2012-12-21
Roland Schulz
Ignore bool cast warning for MSVC and C++
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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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2012-12-09
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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2012-12-06
Roland Schulz
Make SSE4.1 warning clearer
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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
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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2012-11-28
Roland Schulz
Merge "Remove CVS files" into release-4-6
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2012-11-28
Roland Schulz
Fix cpack src ignore rule
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2012-11-28
Roland Schulz
Fix: pthread variables were overwritten by gmxManageGPU
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2012-11-28
Roland Schulz
Fix CPACK_SOURCE_IGNORE_FILES
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2012-11-28
Roland Schulz
Print error if no thread support is available
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2012-11-27
Roland Schulz
Fix Window-GPU build
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2012-11-27
Roland Schulz
Remove CVS files
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2012-11-27
Roland Schulz
Add visibility defines
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-26
Roland Schulz
Merge "Clean up some mathematical constants" into release-4-6
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2012-11-24
Roland Schulz
Use stat for gmx_is_file. Fix get_libdir with symlinks.
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2012-11-23
Roland Schulz
Merge "removed group non-boneded call with verlet scheme...
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2012-11-23
Roland Schulz
Merge "improve FindGROMACS.cmake" into release-4-6
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2012-11-23
Roland Schulz
Force C++ linking of the gpu_utils
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2012-11-23
Roland Schulz
Merge changes I88f0dcef,I86b2a8cf,I70fb7e6d into release-4-6
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2012-11-20
Roland Schulz
Fix CXX/C mismatch of flag/macro for gmxCFlags
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Fix CXX/C mismatch of flag/macro for gmxCFlags
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2012-11-19
Roland Schulz
Merge changes Ibc555d88,Iaf6f3051 into release-4-6
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2012-11-19
Roland Schulz
Add CMAKE_PREFIX_PATH to cmake-gui
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2012-11-19
Roland Schulz
Merge "Remove double declaration in headers" into release-4-6
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2012-11-18
Roland Schulz
Fix GMX_TEST_CFLAG bug with acceleration flags
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2012-11-18
Roland Schulz
Fix bugs in gmxCFlags
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2012-11-17
Roland Schulz
Rename remaining GMX_ACCELERATION to GMX_CPU_ACCELERATION
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2012-11-17
Roland Schulz
Remove double declaration in headers
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2012-11-17
Roland Schulz
Merge "Removing Zn and Ar non-OPLS atom types" into...
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2012-11-16
Roland Schulz
Removing Zn and Ar non-OPLS atom types
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2012-11-16
Roland Schulz
Removes unused files
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2012-11-15
Roland Schulz
Verify that FFTW can be used with shared libraries
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2012-11-14
Roland Schulz
FindFFTW: Keep checking pkg_config until fftw is found
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2012-11-12
Roland Schulz
Test that compiling and linking of AVX works
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2012-11-12
Roland Schulz
Allow to disable usage of rdtscp
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2012-11-12
Roland Schulz
Merge "Backport ThreadMPI.cmake version from master...
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2012-11-12
Roland Schulz
Merge "nbnxn CPU force buffer reduction now uses SIMD...
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2012-11-12
Roland Schulz
Backport ThreadMPI.cmake version from master
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2012-11-11
Roland Schulz
Fix FMA4 compile for GCC and MSVC
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2012-11-10
Roland Schulz
Merge "Fix broken manual formatting" into release-4-6
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2012-11-10
Roland Schulz
Fix g_msd -mol
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2012-11-09
Roland Schulz
Fix component for libcudart
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2012-11-08
Roland Schulz
Merge "Fixed bug in the new switch-modified interactions...
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2012-11-06
Roland Schulz
Fix cmake error if compiler starts with blank line
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2012-11-06
Roland Schulz
Merge "Clarification of mdp_opt, add nstexpand defaults...
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2012-11-05
Roland Schulz
Add option to install libcudart
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-02
Roland Schulz
Merge all License/COPYING files into one and install it
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2012-11-01
Roland Schulz
Fix DEB/RPM cpack generation
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