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Merge branch release-5-1 into release-2016
2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-21
Mark Abraham
Bump minor version for theoretical new release
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2017-12-21
Mark Abraham
Version 5.1.5
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2017-12-14
Mark Abraham
Avoid confusing message at end of non-dynamical runs
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2017-11-01
Mark Abraham
Fix thread-MPI rank choice for orientation restraints
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2017-10-20
Mark Abraham
Clarify docs for Fmax in EM
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2017-09-15
Mark Abraham
Bumped patch version for next release
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2017-09-15
Mark Abraham
Version 2016.4
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2017-09-07
Mark Abraham
Enable group-scheme SIMD kernels on recent AVX extensions
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2017-09-05
Mark Abraham
Fixes for Solaris
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2017-09-03
Mark Abraham
Fix compiler flags for using MKL
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-25
Mark Abraham
Fix flat-bottomed position restraints with multiple...
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2017-08-21
Mark Abraham
Fix compilation issues with ARM SIMD
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-15
Mark Abraham
Fix value of Ewald shift
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2017-08-06
Mark Abraham
Removed unused host-side allocation code
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2017-06-28
Mark Abraham
Fix specification for gcc-6
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2017-06-27
Mark Abraham
Minor improvements to test configs
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2017-05-30
Mark Abraham
Fix NVML error messages
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2017-05-26
Mark Abraham
Test invsixthroot function as intended
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2017-05-15
Mark Abraham
Updated use of gcc-5 specifiers
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2017-05-09
Mark Abraham
Fix formatting of MKL cmake docs
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2017-04-17
Mark Abraham
Propose a post-submit matrix
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2017-03-29
Mark Abraham
Fix parameter description for dihedral_restraints
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2017-03-22
Mark Abraham
Add section to user guide for managing simulations
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2017-03-19
Mark Abraham
Fix string handling for gcc 7
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2017-03-14
Mark Abraham
Bumped version to prepare for next patch release
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2017-03-13
Mark Abraham
Version 2016.3
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2017-03-07
Mark Abraham
Fix minor issues in gmx traj -av -af
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2017-03-04
Mark Abraham
Fixes for xl compilers 13.1.5 on Power8
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-14
Mark Abraham
Fix handling of previous virials
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2017-02-10
Mark Abraham
Corrected output of gmx do_dssp -sc
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2017-02-08
Mark Abraham
Remove docs for unimplemented trjconv -clustercenter
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2017-02-07
Mark Abraham
Bumped version to prepare for next patch release
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2017-02-07
Mark Abraham
Introduced system preparation section to user guide
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2017-02-07
Mark Abraham
Version 2016.2
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-02
Mark Abraham
Clarify use of tau-p and pcoupltype
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-30
Mark Abraham
Fix multi-domain reruns
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2017-01-30
Mark Abraham
Don't print invalid performance data
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2017-01-22
Mark Abraham
Fixed gmx rmsf -q -oq.
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2017-01-04
Mark Abraham
Stop trying to use objdump --reloc on Mac
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2017-01-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-12-20
Mark Abraham
Corrected documentation about eigenvalue handling
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2016-12-20
Mark Abraham
Improve build system for plugin support
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2016-12-15
Mark Abraham
Handle warninp correctly in xpm2ps and membed
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2016-12-14
Mark Abraham
Fix misleading parallelization docs for gmx wham
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2016-12-09
Mark Abraham
Fix logic of TRR reading
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2016-12-07
Mark Abraham
Fix memory handling in gmx dump of TNG files
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2016-12-05
Mark Abraham
Remove undue narrowing of integer in TNG reading
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2016-12-01
Mark Abraham
Fix minor trjconv bug
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2016-10-28
Mark Abraham
Bumped version to prepare for next patch release
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2016-10-28
Mark Abraham
Version 2016.1
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2016-10-21
Mark Abraham
Update install guide
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2016-10-18
Mark Abraham
Fix SIMD suggestion for VMX
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2016-10-11
Mark Abraham
Update for FFTW 3.3.5
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2016-10-07
Mark Abraham
Add script for Jenkins regressiontest update job
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2016-10-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-10-03
Mark Abraham
Replace use of deprecated readdir_r
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2016-09-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-09-08
Mark Abraham
Bumped patch number to prepare for future 5.1.5 release
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2016-09-07
Mark Abraham
Version 5.1.4
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2016-09-07
Mark Abraham
Removed HIS1 from oplsaa and charmm definitions
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2016-09-07
Mark Abraham
Fix LYN charges in amber03
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2016-09-07
Mark Abraham
Fix amber03 HIP charges
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2016-09-06
Mark Abraham
Work around glibc 2.23 with CUDA
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2016-08-27
Mark Abraham
Stop using gmx_fatal in grompp
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2016-08-15
Mark Abraham
Fixes for BG/Q platform files and install guide
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2016-08-12
Mark Abraham
Bump number to prepare for first patch release
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2016-08-04
Mark Abraham
Version 2016
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2016-07-29
Mark Abraham
Improve handling of gmock and gcc6
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2016-07-29
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-28
Mark Abraham
Add toolchain flags for SSE2 compilation
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2016-07-21
Mark Abraham
Bumped patch number to prepare for future 5.1.4 release
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2016-07-14
Mark Abraham
Fix issues with using int for number of steps
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2016-07-13
Mark Abraham
Version 5.1.3
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2016-07-12
Mark Abraham
Fix trr magic number reading
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2016-07-11
Mark Abraham
Fix gmx mdrun -membed -ntmpi -1
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2016-07-11
Mark Abraham
Fix regressiontest download md5sum
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2016-07-09
Mark Abraham
First 2016 release candidate
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2016-07-08
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-07-08
Mark Abraham
Simplify SIMD compiler flag construction
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2016-07-07
Mark Abraham
Move consistency check for number of threads
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2016-07-07
Mark Abraham
Fix build if libcuda is found but nvcc is not
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2016-07-04
Mark Abraham
Fixes for Power7 big-endian
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2016-07-01
Mark Abraham
Fix use of _POSIX_THREAD*
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2016-06-30
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-29
Mark Abraham
Refactor sysconf checking
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2016-06-29
Mark Abraham
Work around glibc 2.23 with CUDA
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2016-06-28
Mark Abraham
Update to include a gcc 6.1 configuration
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2016-06-28
Mark Abraham
Fix SIMD configuration management
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2016-06-27
Mark Abraham
Removed unnecessary inter-simulation signalling
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2016-06-27
Mark Abraham
Merge branch release-5-1 into release-2016
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2016-06-23
Mark Abraham
Allow use of external lmfit package
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2016-06-23
Mark Abraham
Prevent use of mdrun -maxh -multi
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2016-06-22
Mark Abraham
Fix configuration-time cpuinfo code
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2016-06-22
Mark Abraham
Merge branch release-5-1 into release-2016
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