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Fix message about incorrect usage of dihedral type 9
2014-09-22
Roland Schulz
Fix message about incorrect usage of dihedral type 9
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2014-06-29
Roland Schulz
Fix detection of i386 in tmpi
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2014-06-28
Roland Schulz
Another MacOSX rpath fix
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2014-06-26
Roland Schulz
Fix MacOSX rpath
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2014-06-20
Roland Schulz
Fix that seeking was wrong if frame time was modified
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2014-06-19
Roland Schulz
Fix ref error in constraint pull code
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2014-06-17
Roland Schulz
Fix that skipping fails if target is 2nd frame
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2014-05-22
Roland Schulz
Fix memory issue in solvate
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2014-04-22
Roland Schulz
Fix memory error in asc format IO
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2014-02-20
Roland Schulz
Fix aligned store to unaligned memory
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2013-11-12
Roland Schulz
Added rotation to the tests run by ctest
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2013-10-26
Roland Schulz
Fix NBNxN SIMD reference kernels
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2013-10-18
Roland Schulz
Fix tMPI_Atomic_memory_barrier for MIC
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2013-10-17
Roland Schulz
Fix SIMD C reference nbnxn kernels
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-03-06
Roland Schulz
Merge "fixed PME time print with -ntomp_pme != -ntomp...
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2013-03-05
Roland Schulz
Fixes linkage with FFTW + MKL for BLAS/LAPACK
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2013-02-18
Roland Schulz
Issue errors/warnings for ICC before 12.0.0
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2013-02-13
Roland Schulz
Merge "Fixed the MPI recognition string in g_tune_pme...
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2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into release-4-6
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2013-02-13
Roland Schulz
Merge "Updated FindGSL.cmake to version written by...
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2013-02-09
Roland Schulz
Merge "Typo fix" into release-4-6
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2013-02-08
Roland Schulz
Fix CUDA_HOST_COMPILER flag name
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2013-01-22
Roland Schulz
Illegal acceleration defaulted to QPX
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2013-01-22
Roland Schulz
Fix TOUPPER usage
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2013-01-22
Roland Schulz
Updated html manual to 4.6
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2013-01-19
Roland Schulz
Fix AVX double compile error
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2013-01-19
Roland Schulz
Add fftpack to EXTRA_DIST
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2013-01-19
Roland Schulz
Release 4.5.6
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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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