BioD PNPI Git Repos - alexxy/gromacs.git/shortlog

biod.pnpi.spb.ru / alexxy / gromacs.git / shortlog

2017-12-12	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree \| snapshot
2017-12-12	Berk Hess	Avoid yelling about thread pinning twice	commit \| commitdiff \| tree \| snapshot
2017-12-12	Roland Schulz	Fix shift usage for KNC	commit \| commitdiff \| tree \| snapshot
2017-12-11	Mark Abraham	Second beta release of 2018	commit \| commitdiff \| tree \| snapshot
2017-12-11	Erik Lindahl	Remove duplicated lines from OPLS ffbonded.itp	commit \| commitdiff \| tree \| snapshot
2017-12-11	Paul Bauer	Fewer messages when -cpi file is not present	commit \| commitdiff \| tree \| snapshot
2017-12-11	Roland Schulz	Replace intrinsic with inline asm for AVX512 unit test	commit \| commitdiff \| tree \| snapshot
2017-12-11	Erik Lindahl	Don't warn about NVML clocks that are at max	commit \| commitdiff \| tree \| snapshot
2017-12-11	Mark Abraham	Leave NVML use off by default	commit \| commitdiff \| tree \| snapshot
2017-12-11	Mark Abraham	Check for GPU detection support before detecting	commit \| commitdiff \| tree \| snapshot
2017-12-11	Paul Bauer	Disallow combination of PME-user and verlet cutoff	commit \| commitdiff \| tree \| snapshot
2017-12-11	Mark Abraham	Consume any error produced during GPU detection	commit \| commitdiff \| tree \| snapshot
2017-12-11	Mark Abraham	Avoid signed-overflow warning with gcc 7	commit \| commitdiff \| tree \| snapshot
2017-12-11	Mark Abraham	Remove SIMD shift operators	commit \| commitdiff \| tree \| snapshot
2017-12-11	Berk Hess	Add grompp note for PR pcouple + position restraints	commit \| commitdiff \| tree \| snapshot
2017-12-10	Erik Lindahl	Revert "Disable default-on NVML support in CMake"	commit \| commitdiff \| tree \| snapshot
2017-12-10	Berk Hess	Remove SIMD warning for AMD Zen	commit \| commitdiff \| tree \| snapshot
2017-12-10	Berk Hess	Tone down note about not pinning threads	commit \| commitdiff \| tree \| snapshot
2017-12-10	Szilárd Páll	Disable default-on NVML support in CMake	commit \| commitdiff \| tree \| snapshot
2017-12-08	Mark Abraham	Refine ulp tolerances for some more ewald tests	commit \| commitdiff \| tree \| snapshot
2017-12-08	Berk Hess	Correct Shake test tolerances	commit \| commitdiff \| tree \| snapshot
2017-12-08	Berk Hess	Add Viveca Lindahl as contributor	commit \| commitdiff \| tree \| snapshot
2017-12-08	Paul Bauer	Add information regarding xlc compiler	commit \| commitdiff \| tree \| snapshot
2017-12-07	Erik Lindahl	Added cool quote from Viveca's defense	commit \| commitdiff \| tree \| snapshot
2017-12-07	Roland Schulz	Fix AWH test accuracy	commit \| commitdiff \| tree \| snapshot
2017-12-07	Berk Hess	Choose faster nbnxn SIMD kernels on AMD Zen	commit \| commitdiff \| tree \| snapshot
2017-12-07	Roland Schulz	Fix exp test for ICC in double	commit \| commitdiff \| tree \| snapshot
2017-12-07	Roland Schulz	Fix RelWithAssert with ICC	commit \| commitdiff \| tree \| snapshot
2017-12-07	Roland Schulz	Fix C++11 library check's thread dependency	commit \| commitdiff \| tree \| snapshot
2017-12-07	Aleksei Iupinov	Relaxed precision in spline interpolation tests	commit \| commitdiff \| tree \| snapshot
2017-12-06	Roland Schulz	Fix ICC warnings	commit \| commitdiff \| tree \| snapshot
2017-12-06	Aleksei Iupinov	Provide dummy initialization to silence a warning	commit \| commitdiff \| tree \| snapshot
2017-12-06	Roland Schulz	Added doxygen note to clarify rounding mode of SIMD	commit \| commitdiff \| tree \| snapshot
2017-12-06	Szilárd Páll	Implement alternating GPU wait	commit \| commitdiff \| tree \| snapshot
2017-12-05	Alexey Shvetsov	Fix build with cmake 3.10 on Linux	commit \| commitdiff \| tree \| snapshot
2017-12-05	Aleksei Iupinov	Do not accept unsupported combination "-pme cpu -pmefft...	commit \| commitdiff \| tree \| snapshot
2017-12-05	Mark Abraham	Fix mdrun -nb auto -pme auto when GPUs are absent	commit \| commitdiff \| tree \| snapshot
2017-12-05	Roland Schulz	Fix ArrayRef<SimdDInt32> for SSE/AVX128	commit \| commitdiff \| tree \| snapshot
2017-12-05	Mark Abraham	Update testing to include cmake 3.10.0	commit \| commitdiff \| tree \| snapshot
2017-12-05	Magnus Lundborg	SIMD accelerated Urey-Bradley	commit \| commitdiff \| tree \| snapshot
2017-12-05	Berk Hess	Fix DD exact continuation bug	commit \| commitdiff \| tree \| snapshot
2017-12-04	Berk Hess	Fix pme gather in double with AVX(2)_128	commit \| commitdiff \| tree \| snapshot
2017-12-04	Aleksei Iupinov	Reformulate PME solving tests tolerances	commit \| commitdiff \| tree \| snapshot
2017-12-04	Berk Hess	Merge "Merge branch release-2016 into release-2018...	commit \| commitdiff \| tree \| snapshot
2017-12-04	Mark Abraham	Fix free_gpu	commit \| commitdiff \| tree \| snapshot
2017-12-04	Berk Hess	Fixed initial temperature reporting	commit \| commitdiff \| tree \| snapshot
2017-12-04	Mark Abraham	Fix unused variables in CPU pruning kernels	commit \| commitdiff \| tree \| snapshot
2017-12-04	Mark Abraham	Merge branch release-2016 into release-2018	commit \| commitdiff \| tree \| snapshot
2017-12-04	Berk Hess	Update mdrun signal help text	commit \| commitdiff \| tree \| snapshot
2017-12-04	Berk Hess	Only stop at nstlist steps with -reprod	commit \| commitdiff \| tree \| snapshot
2017-12-04	Erik Lindahl	Fix compilation issues for AVX-512	commit \| commitdiff \| tree \| snapshot
2017-12-03	Berk Hess	Clear vsite velocities for simple integrators	commit \| commitdiff \| tree \| snapshot
2017-12-03	Mark Abraham	Fix fft5d pinning	commit \| commitdiff \| tree \| snapshot
2017-12-03	Berk Hess	Tighten B-spline moduli single precision test tolerance...	commit \| commitdiff \| tree \| snapshot
2017-12-02	Berk Hess	Avoid assertion failure in AWH	commit \| commitdiff \| tree \| snapshot
2017-11-30	Viveca Lindahl	Correct AWH input file name in documentation	commit \| commitdiff \| tree \| snapshot
2017-11-29	Berk Hess	Change the GPU SMT cut-off to quadratic	commit \| commitdiff \| tree \| snapshot
2017-11-28	Erik Lindahl	Fix AVX-512 SIMD test for C	commit \| commitdiff \| tree \| snapshot
2017-11-28	Mark Abraham	GROMACS 2018 first beta release	commit \| commitdiff \| tree \| snapshot
2017-11-28	Berk Hess	Update documention of Nose-Hoover output	commit \| commitdiff \| tree \| snapshot
2017-11-28	Berk Hess	Refactor nbnxn exclusion setting	commit \| commitdiff \| tree \| snapshot
2017-11-28	Berk Hess	Extend grompp missing energy term message	commit \| commitdiff \| tree \| snapshot
2017-11-28	Aleksei Iupinov	Replace of pmeGPU variable name with pmeGpu	commit \| commitdiff \| tree \| snapshot
2017-11-28	Szilárd Páll	Separate local GPU NB wait from emulation launch	commit \| commitdiff \| tree \| snapshot
2017-11-28	Szilárd Páll	Refactor GPU rolling prune launch	commit \| commitdiff \| tree \| snapshot
2017-11-28	Erik Lindahl	Improve status messages for SIMD checks	commit \| commitdiff \| tree \| snapshot
2017-11-27	Roland Schulz	Fix bugs introduced in c4cd996	commit \| commitdiff \| tree \| snapshot
2017-11-27	Szilárd Páll	Time FFT/gather in mixed mode	commit \| commitdiff \| tree \| snapshot
2017-11-27	Aleksei Iupinov	Do not force separate PME rank to recompute reciprocal...	commit \| commitdiff \| tree \| snapshot
2017-11-27	Erik Lindahl	Test more AVX-512F instructions before enabling support	commit \| commitdiff \| tree \| snapshot
2017-11-27	Aleksei Iupinov	Disable failing separate PME rank tests	commit \| commitdiff \| tree \| snapshot
2017-11-27	Aleksei Iupinov	Add tests for PME tuning and fix mixed PME mode with...	commit \| commitdiff \| tree \| snapshot
2017-11-27	Berk Hess	Enable auto thread pinning with thread limiting	commit \| commitdiff \| tree \| snapshot
2017-11-27	Paul Bauer	Add GPU task information to user-guide	commit \| commitdiff \| tree \| snapshot
2017-11-27	Berk Hess	Fix PME GPU with walls	commit \| commitdiff \| tree \| snapshot
2017-11-25	Berk Hess	Fix compiler warning without MPI	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Destroy PME GPU context	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Enable separate PME GPU rank	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Do not call mixed CPU+GPU PME mode "Hybrid"	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Activate mixed mode of PME on GPU	commit \| commitdiff \| tree \| snapshot
2017-11-24	Berk Hess	Disabled CUDA timings	commit \| commitdiff \| tree \| snapshot
2017-11-24	Szilárd Páll	Add GPU sharing post-submit config	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Update developer guide	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Activate PME on GPUs	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Remove outdated (already implemented) pinning TODO	commit \| commitdiff \| tree \| snapshot
2017-11-24	Berk Hess	Speed up nbnxn buffer clearing	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Separate management of GPU contexts from modules	commit \| commitdiff \| tree \| snapshot
2017-11-24	Erik Lindahl	Detect AVX-512 FMA units to choose best SIMD	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Add PME integration test	commit \| commitdiff \| tree \| snapshot
2017-11-24	Mark Abraham	Extend task assignment code	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Mention gmx_install_headers() in the developer manual	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Make FFT real-space grid use CUDA pinning for mixed...	commit \| commitdiff \| tree \| snapshot
2017-11-24	Berk Hess	Limit SMT with PME on GPU	commit \| commitdiff \| tree \| snapshot
2017-11-24	Aleksei Iupinov	Pin coordinates, forces and charges for PME on GPU	commit \| commitdiff \| tree \| snapshot
2017-11-23	Berk Hess	Update note in manual on SD	commit \| commitdiff \| tree \| snapshot
2017-11-23	Berk Hess	Correct PME GPU timing naming	commit \| commitdiff \| tree \| snapshot
2017-11-23	Szilárd Páll	Move GPU FFT/gather launch after GPU nonbondeds	commit \| commitdiff \| tree \| snapshot
2017-11-22	Pascal Merz	Proof of concept: Physical validation suite	commit \| commitdiff \| tree \| snapshot
2017-11-22	Viveca Lindahl	Fixed typo and adds corrects units in the friction...	commit \| commitdiff \| tree \| snapshot
2017-11-22	Viveca Lindahl	Added friction tensor to AWH manual section	commit \| commitdiff \| tree \| snapshot
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