Public Git Hosting - gromacs.git/search

2016-07-08	Mark Abraham	Simplify SIMD compiler flag construction	commit \| commitdiff \| tree
2016-07-08	Erik Lindahl	Add detection for ARMv7 cycle counter support	commit \| commitdiff \| tree
2016-07-07	Mark Abraham	Move consistency check for number of threads	commit \| commitdiff \| tree
2016-07-04	Mark Abraham	Fixes for Power7 big-endian	commit \| commitdiff \| tree
2016-07-04	Szilárd Páll	Disable NVIDIA JIT cache with OpenCL	commit \| commitdiff \| tree
2016-06-30	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2016-06-29	Mark Abraham	Refactor sysconf checking	commit \| commitdiff \| tree
2016-06-29	Mark Abraham	Work around glibc 2.23 with CUDA	commit \| commitdiff \| tree
2016-06-28	Berk Hess	Properly reset CUDA application clocks	commit \| commitdiff \| tree
2016-06-28	Mark Abraham	Update to include a gcc 6.1 configuration	commit \| commitdiff \| tree
2016-06-28	Mark Abraham	Fix SIMD configuration management	commit \| commitdiff \| tree
2016-06-27	Mark Abraham	Removed unnecessary inter-simulation signalling	commit \| commitdiff \| tree
2016-06-27	Berk Hess	Use sysconf(_SC_NPROCESSORS_ONLN)	commit \| commitdiff \| tree
2016-06-27	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2016-06-24	Berk Hess	Fix Verlet buffer calculation with nstlist=1	commit \| commitdiff \| tree
2016-06-23	Berk Hess	More accurate GPU list splitting	commit \| commitdiff \| tree
2016-06-23	Mark Abraham	Allow use of external lmfit package	commit \| commitdiff \| tree
2016-06-23	Mark Abraham	Prevent use of mdrun -maxh -multi	commit \| commitdiff \| tree
2016-06-22	Berk Hess	Updated OpenCLTODOList.txt	commit \| commitdiff \| tree
2016-06-22	Mark Abraham	Fix configuration-time cpuinfo code	commit \| commitdiff \| tree
2016-06-22	David van der Spoel	Removed spurious r_ij in force for Morse potential...	commit \| commitdiff \| tree
2016-06-22	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2016-06-22	Berk Hess	Add nbnxn pair-list rebalancing	commit \| commitdiff \| tree
2016-06-22	Berk Hess	Remove OpenMP overhead at high parallelization	commit \| commitdiff \| tree
2016-06-22	Berk Hess	Correct GPU pair estimate for list splitting	commit \| commitdiff \| tree
2016-06-22	Mark Abraham	Adjust and document C++11 compiler tests	commit \| commitdiff \| tree
2016-06-20	Mark Abraham	Update pre-submit matrix contents	commit \| commitdiff \| tree
2016-06-19	Berk Hess	Remove warnings on checkpoint mismatch	commit \| commitdiff \| tree
2016-06-19	Mark Abraham	Improve docs for linking stdlibc++ needed by icc	commit \| commitdiff \| tree
2016-06-17	Berk Hess	Remove std::thread::hardware_concurrency()	commit \| commitdiff \| tree
2016-06-17	Vedran Miletić	Report the filename and the line number on failure	commit \| commitdiff \| tree
2016-06-17	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2016-06-17	Mark Abraham	Fix multi-sim + DD + simple distance restraints	commit \| commitdiff \| tree
2016-06-13	Berk Hess	Handle constraint errors with EM	commit \| commitdiff \| tree
2016-06-10	Mark Abraham	Find python for docs build quietly	commit \| commitdiff \| tree
2016-06-08	Erik Lindahl	Disable static libcudart on OS X	commit \| commitdiff \| tree
2016-06-07	Mark Abraham	Re-add support for linking against external TinyXML-2	commit \| commitdiff \| tree
2016-06-07	Mark Abraham	Updates to documentation	commit \| commitdiff \| tree
2016-06-07	Berk Hess	Fix data race in hwinfo with thread-MPI	commit \| commitdiff \| tree
2016-06-02	Mark Abraham	Fix compatibility with older CMake	commit \| commitdiff \| tree
2016-06-02	Mark Abraham	Make more CMake variables advanced	commit \| commitdiff \| tree
2016-06-02	Mark Abraham	Ignore stderr when detecting SIMD and build info	commit \| commitdiff \| tree
2016-05-31	Mark Abraham	Fix reference to vmdio.c to be vmdio.cpp	commit \| commitdiff \| tree
2016-05-31	Mark Abraham	Second 2016 beta release	commit \| commitdiff \| tree
2016-05-31	Berk Hess	Reposition nbnxn filler particles	commit \| commitdiff \| tree
2016-05-31	Berk Hess	Avoid numerical overflow with overlapping atoms	commit \| commitdiff \| tree
2016-05-31	Berk Hess	Add check for finite energies	commit \| commitdiff \| tree
2016-05-28	Roland Schulz	Fix build with clang 3.1+3.2	commit \| commitdiff \| tree
2016-05-27	Mark Abraham	Fix reading of bonded tables	commit \| commitdiff \| tree
2016-05-26	Mark Abraham	New quote	commit \| commitdiff \| tree
2016-05-21	Erik Lindahl	Disable automated FFTW3 builds on Windows	commit \| commitdiff \| tree
2016-05-17	Roland Schulz	Add reference to TopoTools 1.6	commit \| commitdiff \| tree
2016-05-17	Teemu Murtola	Fix some thread affinity cases	commit \| commitdiff \| tree
2016-05-13	Roland Schulz	Don't use abort for fatal errors	commit \| commitdiff \| tree
2016-05-12	Mark Abraham	Merge branch release-5-1 into release-2016	commit \| commitdiff \| tree
2016-05-12	Mark Abraham	GROMACS 2016 beta1 release	commit \| commitdiff \| tree
2016-05-12	Vedran Miletić	Remove static function qualifier in OpenCL kernel utils	commit \| commitdiff \| tree
2016-05-10	Teemu Murtola	Additional Jenkins documentation	commit \| commitdiff \| tree
2016-05-10	Mark Abraham	Bump clang static analyzer to version 3.8	commit \| commitdiff \| tree
2016-05-10	Mark Abraham	Minor update to sphinx dependency	commit \| commitdiff \| tree
2016-05-10	Teemu Murtola	Include releng documentation to developer guide	commit \| commitdiff \| tree
2016-05-10	Erik Lindahl	Fix precision loss in tabulated normal distribution	commit \| commitdiff \| tree
2016-05-10	Mark Abraham	Facilitate linking with libcxx	commit \| commitdiff \| tree
2016-05-10	Erik Lindahl	Flush streams when not writing newline character	commit \| commitdiff \| tree
2016-05-10	Berk Hess	Optimized the vsite threading	commit \| commitdiff \| tree
2016-05-10	Roland Schulz	Add OpenMP for functions limiting scaling	commit \| commitdiff \| tree
2016-05-08	Mark Abraham	Fixes for clang 3.7 on PowerPC	commit \| commitdiff \| tree
2016-05-08	James W. Barnett	Correct and clarify output units for fluct_props	commit \| commitdiff \| tree
2016-05-08	Erik Lindahl	Fix Luzar/Chander literature reference in g_hbond	commit \| commitdiff \| tree
2016-05-08	David van der Spoel	Modify lmfit library to avoid clashes with other versions.	commit \| commitdiff \| tree
2016-04-28	Teemu Murtola	Use HardwareTopology to set nthreads_hw_avail	commit \| commitdiff \| tree
2016-04-28	Teemu Murtola	Remove gmx_hw_info_t::ncore	commit \| commitdiff \| tree
2016-04-28	Szilárd Páll	Workaround for gcc false positive warning	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Improve release workflow testing	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Disable multiple ranks for non-MPI unit tests	commit \| commitdiff \| tree
2016-04-27	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-04-27	Szilárd Páll	Fix multiple MPI ranks per node with OpenCL	commit \| commitdiff \| tree
2016-04-27	Teemu Murtola	Fix issues with failing thread affinity setting	commit \| commitdiff \| tree
2016-04-19	Roland Schulz	Fix numerically unstable selection test	commit \| commitdiff \| tree
2016-04-19	Szilárd Páll	Move out CUDA profiler triggers from NBNXN	commit \| commitdiff \| tree
2016-04-19	Berk Hess	Allow rcoulomb>rvdw with PME	commit \| commitdiff \| tree
2016-04-19	Mark Abraham	Replace libxml2 with tinyxml2 for use in test code	commit \| commitdiff \| tree
2016-04-19	Roland Schulz	Tune nstlist increase for KNL	commit \| commitdiff \| tree
2016-04-19	Mark Abraham	Fix parse_digits_from_string	commit \| commitdiff \| tree
2016-04-19	Berk Hess	Broadcast pull external potential provider string	commit \| commitdiff \| tree
2016-04-19	Mark Abraham	Fix mdp label generation	commit \| commitdiff \| tree
2016-04-19	Berk Hess	Fix gmx hbond group overlap check	commit \| commitdiff \| tree
2016-04-14	Mark Abraham	Merge branch release-5-1	commit \| commitdiff \| tree
2016-04-14	Carsten Kutzner	Corrected value of electric conversion factor f in...	commit \| commitdiff \| tree
2016-04-06	Roland Schulz	AVX512 transposeScatterIncr/DecrU with load/store	commit \| commitdiff \| tree
2016-04-04	Erik Lindahl	Fix compile error for IBM VMX on ppc64	commit \| commitdiff \| tree
2016-04-04	Erik Lindahl	Fix SIMD detection on new AMD AVX CPUs w/o fma	commit \| commitdiff \| tree
2016-04-03	Erik Lindahl	Fix unit test segfaults with gcc-6.0	commit \| commitdiff \| tree
2016-04-03	Erik Lindahl	Fix incorrect return type for scalar version of simd...	commit \| commitdiff \| tree
2016-04-03	Semen Yesylevskyy	Added references to ProtSqueeze and g_membed to the...	commit \| commitdiff \| tree
2016-04-02	Roland Schulz	Fix coolquotes	commit \| commitdiff \| tree
2016-04-01	Mark Abraham	Revert to treating -1 as "generate a seed" in .mdp	commit \| commitdiff \| tree
2016-03-31	Berk Hess	Add option for external pull potential	commit \| commitdiff \| tree
2016-03-31	James W. Barnett	Revert behavior for handling SETTLE errors	commit \| commitdiff \| tree
2016-03-31	Szilárd Páll	refactor CUDA texture-based table initialization	commit \| commitdiff \| tree
next

The ultimate molecular dynamics simulation package

RSS Atom