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2015-07-14	Erik Lindahl	Move fileio sources to C++	commit \| commitdiff \| tree
2015-07-14	Mark Abraham	Converted gmxpreprocess to compile as C++	commit \| commitdiff \| tree
2015-07-14	Erik Lindahl	Move remaining C files in utility to C++	commit \| commitdiff \| tree
2015-07-10	Erik Lindahl	Use cmakedefine01 for more trivial defines	commit \| commitdiff \| tree
2015-07-10	Erik Lindahl	Moved tools files to C++	commit \| commitdiff \| tree
2015-07-09	Erik Lindahl	Merge "Merge release-5-1 into master"	commit \| commitdiff \| tree
2015-07-08	Erik Lindahl	Move generalized born to C++	commit \| commitdiff \| tree
2015-07-08	Berk Hess	Separated bonded and Ewald correction threading	commit \| commitdiff \| tree
2015-07-08	Erik Lindahl	Move endian, float format and XDR settings to cmakedefine01	commit \| commitdiff \| tree
2015-07-08	Erik Lindahl	Cleanup and remove unused SSE2 generalized born code	commit \| commitdiff \| tree
2015-07-08	Erik Lindahl	Move old neighborsearch code to C++	commit \| commitdiff \| tree
2015-07-07	Teemu Murtola	Wrap uses of thread_mpi/mutex.h	commit \| commitdiff \| tree
2015-07-05	Berk Hess	Fix bug in GPU list balancing	commit \| commitdiff \| tree
2015-07-04	Teemu Murtola	Bump various version numbers	commit \| commitdiff \| tree
2015-07-04	Teemu Murtola	Make some unit tests use mock file output	commit \| commitdiff \| tree
2015-07-04	Berk Hess	Obey OpenMP thread count limit with tMPI	commit \| commitdiff \| tree
2015-07-04	Berk Hess	Fix two PME DLB trigger issues	commit \| commitdiff \| tree
2015-07-03	Mark Abraham	Fix ThreadMPI GPU assumptions	commit \| commitdiff \| tree
2015-07-03	Berk Hess	Correct grompp pull warning message	commit \| commitdiff \| tree
2015-07-02	Szilard Pall	Fix OpenCL compilation errors.	commit \| commitdiff \| tree
2015-07-02	Teemu Murtola	Remove status messages about Sphinx detection	commit \| commitdiff \| tree
2015-07-02	Teemu Murtola	Minor include sorting changes	commit \| commitdiff \| tree
2015-07-01	Teemu Murtola	Clean up unused code from gmxfio	commit \| commitdiff \| tree
2015-06-30	Mark Abraham	Document how to add and use NVML support	commit \| commitdiff \| tree
2015-06-30	Mark Abraham	Avoid GPU data race also with OpenCL	commit \| commitdiff \| tree
2015-06-30	Berk Hess	enabled 1 PP + 1 PME node	commit \| commitdiff \| tree
2015-06-30	Berk Hess	Add checks for inefficient resource usage	commit \| commitdiff \| tree
2015-06-30	Mark Abraham	Add support for flushing WDDM queue	commit \| commitdiff \| tree
2015-06-29	Mark Abraham	Merge "Merge branch release-5-0"	commit \| commitdiff \| tree
2015-06-29	Erik Lindahl	Fix OS X openCL builds	commit \| commitdiff \| tree
2015-06-29	Erik Lindahl	Fix bugs in gmx dos	commit \| commitdiff \| tree
2015-06-29	Erik Lindahl	Replace functions deprecated in OpenCL 1.2	commit \| commitdiff \| tree
2015-06-29	Teemu Murtola	Only accept exact matches for selection keywords	commit \| commitdiff \| tree
2015-06-29	anca	Implement OpenCL support	commit \| commitdiff \| tree
2015-06-29	Mark Abraham	Add MSAN build type	commit \| commitdiff \| tree
2015-06-29	Erik Lindahl	Fix bug removing multiple dihedrals in main rtp entries	commit \| commitdiff \| tree
2015-06-29	Teemu Murtola	Make some unit tests skip file system access	commit \| commitdiff \| tree
2015-06-29	Erik Lindahl	Removed gmx protonate tool	commit \| commitdiff \| tree
2015-06-29	Berk Hess	Improve DLB+PME tuning with GPUs	commit \| commitdiff \| tree
2015-06-28	Erik Lindahl	Fix double precision reference SIMD and gcc bug	commit \| commitdiff \| tree
2015-06-28	Erik Lindahl	Fix one error and compiler warnings with Cuda & clang-3.6	commit \| commitdiff \| tree
2015-06-28	Peter Kasson	Append _pullx_ and _pullf to pull files when -deffnm...	commit \| commitdiff \| tree
2015-06-28	Roland Schulz	Remove unused cmake files	commit \| commitdiff \| tree
2015-06-28	Roland Schulz	Don't use check_library for libm	commit \| commitdiff \| tree
2015-06-27	Berk Hess	Improved the intra-GPU load balancing	commit \| commitdiff \| tree
2015-06-27	Szilard Pall	Fix CUDA architecture dependent issues	commit \| commitdiff \| tree
2015-06-27	Erik Lindahl	Fix IBM VSX SIMD compiles with xlc	commit \| commitdiff \| tree
2015-06-27	Berk Hess	Reduce the use of nbnxn_consts.h	commit \| commitdiff \| tree
2015-06-27	Berk Hess	Corrected nstcalclr/nstfep/nst_repl_ex checks	commit \| commitdiff \| tree
2015-06-27	Erik Lindahl	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2015-06-27	Teemu Murtola	Document tool changes in 5.1	commit \| commitdiff \| tree
2015-06-26	Erik Lindahl	Fix compile issues on K computer	commit \| commitdiff \| tree
2015-06-26	Berk Hess	Fixed Verlet buffer issue with 2-wide SIMD	commit \| commitdiff \| tree
2015-06-26	Erik Lindahl	Fix buffer size issues in string database	commit \| commitdiff \| tree
2015-06-26	Mark Abraham	Fix mdrun -confout sometimes affecting final .edr frame	commit \| commitdiff \| tree
2015-06-25	Berk Hess	Intermolecular bonded interaction support added	commit \| commitdiff \| tree
2015-06-25	Szilard Pall	Add missing macro undef in CUDA NB kernel	commit \| commitdiff \| tree
2015-06-25	Roland Schulz	Fix Wundef warnings	commit \| commitdiff \| tree
2015-06-25	Teemu Murtola	Move documentation on tool changes from wiki	commit \| commitdiff \| tree
2015-06-25	Mark Abraham	Merge "Merge release-5-0 into master"	commit \| commitdiff \| tree
2015-06-25	Berk Hess	Reenabled SIMD kernels without cut-offs	commit \| commitdiff \| tree
2015-06-24	Erik Lindahl	Avoid accessing hackblocks for x2top	commit \| commitdiff \| tree
2015-06-24	Magnus Lundborg	Update header when appending to TNG file.	commit \| commitdiff \| tree
2015-06-24	Berk Hess	GPU Ewald table kernel now uses CPU spacing	commit \| commitdiff \| tree
2015-06-24	Berk Hess	Avoid GPU selection with GPU emulation	commit \| commitdiff \| tree
2015-06-24	Berk Hess	Minor reformatting of SIMD mismatch message	commit \| commitdiff \| tree
2015-06-24	Berk Hess	Add sugar to print empty line in printBinaryInformation	commit \| commitdiff \| tree
2015-06-23	Erik Lindahl	Updated physical constants from NIST 2010 CODATA	commit \| commitdiff \| tree
2015-06-23	Erik Lindahl	Removed buggy -smooth hack in hbond module	commit \| commitdiff \| tree
2015-06-22	Berk Hess	Update launch configuration for physical nodes	commit \| commitdiff \| tree
2015-06-22	Roland Schulz	Fix GMX_ALIGNMENT for MSVC 2012 and 2013	commit \| commitdiff \| tree
2015-06-22	Berk Hess	Avoid fp exceptions in pair search debug	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix compiler warnings in cmake tests	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Use MPI_THREAD_FUNNELED when available	commit \| commitdiff \| tree
2015-06-22	Roland Schulz	Fix cmake 3.1 warnings with MSVC	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix segfault in random access XTC searching	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix argument order error for g_rmsdist	commit \| commitdiff \| tree
2015-06-22	Erik Lindahl	Fix gro errors with PDB insertion codes	commit \| commitdiff \| tree
2015-06-22	Berk Hess	Replaced hardware threads by logical cores in output	commit \| commitdiff \| tree
2015-06-21	Szilard Pall	fix CPU core oversubscription detection	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Updated docs for g_gyrate	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Fix potential buffer overflow in pdb2gmx	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Disallow infinite epsilon with PME or GB.	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Remove GMX_MAX_MPI_THREADS	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Fix reproducibility bug in fft5d	commit \| commitdiff \| tree
2015-06-20	Erik Lindahl	Handle multidir/multisim with single argument correctly	commit \| commitdiff \| tree
2015-06-18	Berk Hess	Reduced the cost of the pull communication	commit \| commitdiff \| tree
2015-06-18	Mark Abraham	Fix typo in GMX_BUILD_OWN_FFTW message	commit \| commitdiff \| tree
2015-06-17	Teemu Murtola	Minor clean up for refdata.*	commit \| commitdiff \| tree
2015-06-17	Teemu Murtola	Improve logic for automatic selection names	commit \| commitdiff \| tree
2015-06-17	Berk Hess	Refactored pull data structures	commit \| commitdiff \| tree
2015-06-16	Mark Abraham	Stop people installing into the build tree	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Fix CUDA version info in NVML application clock warning	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Add membrane embedding docs	commit \| commitdiff \| tree
2015-06-16	Berk Hess	Added missing DD cycle counting	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Updated FFTW recommendations in install-guide.	commit \| commitdiff \| tree
2015-06-16	Mark Abraham	Move code for managing mdrun -cpi and -append	commit \| commitdiff \| tree
2015-06-16	Berk Hess	Automated the -gpu_id option	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Fix segfault with timer reset and -nb cpu	commit \| commitdiff \| tree
2015-06-16	Erik Lindahl	Avoid warning about affinity on Blue Gene, reduce warnings	commit \| commitdiff \| tree
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