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

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2019-08-14	Christian Blau	Internal parameter storage for IMDModules	commit \| commitdiff \| tree
2019-08-14	Artem Zhmurov	BugFix: Zeroing the padded area of coordinates vectors...	commit \| commitdiff \| tree
2019-08-13	Mark Abraham	Remove workaround for buggy cmake	commit \| commitdiff \| tree
2019-02-04	Roland Schulz	Replace compat::make_unique with std::make_unique	commit \| commitdiff \| tree
2019-02-04	Christian Blau	mdspan - free begin and end functions	commit \| commitdiff \| tree
2019-02-04	Christian Blau	multidimensional array - bugfix swap	commit \| commitdiff \| tree
2018-12-31	Szilárd Páll	Add CUDA CC 7.5 (Turing) support with nvcc	commit \| commitdiff \| tree
2018-12-27	Paul Bauer	Document OpenCL timer issue.	commit \| commitdiff \| tree
2018-12-26	Christian Blau	mdspan - basic_mdspan and mdspan declaration	commit \| commitdiff \| tree
2018-12-20	Christian Blau	mdspan - basic accessor policy	commit \| commitdiff \| tree
2018-12-20	Christian Blau	mdspan - mapping for right layout	commit \| commitdiff \| tree
2018-12-04	Christian Blau	mdspan - extents of multidimensional arrays.	commit \| commitdiff \| tree
2018-11-22	Christian Blau	mdspan - basic infrastructure	commit \| commitdiff \| tree
2018-10-31	Paul Bauer	Add equation numbers in reference manual	commit \| commitdiff \| tree
2018-09-30	Bernhard M. Wiedemann	Do not gather CPU, user and host info about the build...	commit \| commitdiff \| tree
2018-08-06	Kevin Boyd	Fix gmx solvate topology updating	commit \| commitdiff \| tree
2018-08-04	Kevin Boyd	Support hwloc 2.x.x	commit \| commitdiff \| tree
2018-07-30	Szilárd Páll	Improve the robustness of the nvcc CMake check	commit \| commitdiff \| tree
2018-07-30	Szilárd Páll	Fix nvcc host compiler check triggering	commit \| commitdiff \| tree
2018-06-07	Paul Bauer	Change use of t_inpfile to std::vector	commit \| commitdiff \| tree
2018-06-07	Paul Bauer	Remove macros in input file reading	commit \| commitdiff \| tree
2018-06-06	Kevin Boyd	Added to PME on GPU information in mdrun performance	commit \| commitdiff \| tree
2018-06-06	Viveca Lindahl	Make sure that the value of awh-nsamples-update is...	commit \| commitdiff \| tree
2018-06-06	Erik Lindahl	Use default CMake path variables	commit \| commitdiff \| tree
2018-06-06	Paul Bauer	Fix PQR file output	commit \| commitdiff \| tree
2018-06-06	Erik Lindahl	Bump GMX_BUILD_OWN_FFTW to 3.3.8 to avoid bugs	commit \| commitdiff \| tree
2018-06-05	Mark Abraham	Fixed enemat when .edr had no matching energy groups	commit \| commitdiff \| tree
2018-06-05	Mark Abraham	Improved docs for gmx mindist -pi	commit \| commitdiff \| tree
2018-03-12	Mark Abraham	Test gcc-6 and cuda-9.0	commit \| commitdiff \| tree
2018-01-05	Erik Lindahl	Test that nvcc/host compiler combo works	commit \| commitdiff \| tree
2018-01-05	Erik Lindahl	Make TNG writing work with multiple identical steps	commit \| commitdiff \| tree
2018-01-05	Erik Lindahl	Add AVX_512 and KNC symbols to FFTW SIMD test	commit \| commitdiff \| tree
2018-01-05	Mark Abraham	Remove FindCUDA from source tarball	commit \| commitdiff \| tree
2018-01-03	Mark Abraham	Add cool quote	commit \| commitdiff \| tree
2018-01-03	Erik Lindahl	Fix complexity for large exclusion orders	commit \| commitdiff \| tree
2018-01-03	Mark Abraham	Fix duplicate warning	commit \| commitdiff \| tree
2018-01-03	Erik Lindahl	Don't allow multiple energy groups for GPU runs	commit \| commitdiff \| tree
2018-01-02	Erik Lindahl	Allow empty lines in hdb files	commit \| commitdiff \| tree
2018-01-02	Mark Abraham	Fix membed by calling the proper mtop finalization...	commit \| commitdiff \| tree
2017-12-29	Mark Abraham	Separate canDetectGpus and findGpus futher, and fix...	commit \| commitdiff \| tree
2017-12-28	Roland Schulz	Replace GMX_ALIGNED with alignas and SIMD alignment...	commit \| commitdiff \| tree
2017-12-20	Carsten Kutzner	Destruct MDModules/force providers prior to calling...	commit \| commitdiff \| tree
2017-12-20	Aleksei Iupinov	Remove potentially wrong "per user request" note from...	commit \| commitdiff \| tree
2017-12-15	Roland Schulz	Remove incorrect/misleading OpenMP message	commit \| commitdiff \| tree
2017-12-15	Roland Schulz	Revert "Use table Ewald for Skylake"	commit \| commitdiff \| tree
2017-12-15	Mark Abraham	Make OpenCL implementation of gpu_utils tests conform	commit \| commitdiff \| tree
2017-12-14	Mark Abraham	Avoid confusing message at end of non-dynamical runs	commit \| commitdiff \| tree
2017-12-14	Mark Abraham	Fix return values of frame-reading functions	commit \| commitdiff \| tree
2017-12-14	Mark Abraham	Make AVX-512 CMake detction work	commit \| commitdiff \| tree
2017-12-14	Paul Bauer	Remove PBC before generating TPR with group scheme	commit \| commitdiff \| tree
2017-12-14	Roland Schulz	Simplify CMAP loop	commit \| commitdiff \| tree
2017-12-14	Erik Lindahl	Work around AVX-512 issues in gcc-5.4 and 7.1	commit \| commitdiff \| tree
2017-12-12	Berk Hess	Check for large energy at first step	commit \| commitdiff \| tree
2017-12-12	Berk Hess	Avoid yelling about thread pinning twice	commit \| commitdiff \| tree
2017-12-11	Mark Abraham	Leave NVML use off by default	commit \| commitdiff \| tree
2017-12-11	Mark Abraham	Check for GPU detection support before detecting	commit \| commitdiff \| tree
2017-12-11	Mark Abraham	Avoid signed-overflow warning with gcc 7	commit \| commitdiff \| tree
2017-12-11	Mark Abraham	Remove SIMD shift operators	commit \| commitdiff \| tree
2017-12-10	Berk Hess	Remove SIMD warning for AMD Zen	commit \| commitdiff \| tree
2017-12-10	Berk Hess	Tone down note about not pinning threads	commit \| commitdiff \| tree
2017-12-10	Szilárd Páll	Disable default-on NVML support in CMake	commit \| commitdiff \| tree
2017-12-07	Roland Schulz	Fix C++11 library check's thread dependency	commit \| commitdiff \| tree
2017-12-03	Berk Hess	Clear vsite velocities for simple integrators	commit \| commitdiff \| tree
2017-12-03	Mark Abraham	Fix fft5d pinning	commit \| commitdiff \| tree
2017-12-02	Berk Hess	Avoid assertion failure in AWH	commit \| commitdiff \| tree
2017-11-29	Berk Hess	Change the GPU SMT cut-off to quadratic	commit \| commitdiff \| tree
2017-11-27	Aleksei Iupinov	Do not force separate PME rank to recompute reciprocal...	commit \| commitdiff \| tree
2017-11-27	Erik Lindahl	Test more AVX-512F instructions before enabling support	commit \| commitdiff \| tree
2017-11-24	Erik Lindahl	Detect AVX-512 FMA units to choose best SIMD	commit \| commitdiff \| tree
2017-11-24	Berk Hess	Limit SMT with PME on GPU	commit \| commitdiff \| tree
2017-11-20	Viveca Lindahl	Add reading and writing to AWH module	commit \| commitdiff \| tree
2017-11-20	Mark Abraham	Fix nightly matrix config	commit \| commitdiff \| tree
2017-11-19	Berk Hess	Add SIMD for AWH	commit \| commitdiff \| tree
2017-11-18	Magnus Lundborg	Added Magnus Lundborg as contributor in the manual.	commit \| commitdiff \| tree
2017-11-18	Aleksei Iupinov	Asynchronous CUDA transfers are asserted to always...	commit \| commitdiff \| tree
2017-11-10	Roland Schulz	Revert "Use -mavx2 -mfma instead of -march with AVX2"	commit \| commitdiff \| tree
2017-11-08	Roland Schulz	Fix scalar blend	commit \| commitdiff \| tree
2017-11-08	Magnus Lundborg	Update to TNG v 1.8.1	commit \| commitdiff \| tree
2017-09-09	Berk Hess	Avoid inf in SIMD double sqrt()	commit \| commitdiff \| tree
2017-07-19	Mark Abraham	Improve CMake implementation for GMX_SIMD	commit \| commitdiff \| tree
2017-06-29	Teemu Murtola	Generalize IForceProvider	commit \| commitdiff \| tree
2017-06-15	Szilárd Páll	Allow disabling the explicit use of CUDA textures	commit \| commitdiff \| tree
2017-06-14	Mark Abraham	Simplify reporting from init_gpu	commit \| commitdiff \| tree
2017-06-13	Erik Lindahl	More quotes	commit \| commitdiff \| tree
2017-06-07	Vedran Miletić	Document floating-point arithmetic	commit \| commitdiff \| tree
2017-05-29	Szilárd Páll	Quotes are cool, typo-free ones are even "cooler"	commit \| commitdiff \| tree
2017-05-27	Mark Abraham	Quotes from Gottingen workshop	commit \| commitdiff \| tree
2017-05-14	Berk Hess	Fix bugs in double Simd4 implementations	commit \| commitdiff \| tree
2017-03-19	Erik Lindahl	Use OpenMP up to 16 threads with AMD Ryzen	commit \| commitdiff \| tree
2017-03-19	Erik Lindahl	128-bit AVX2 SIMD for AMD Ryzen	commit \| commitdiff \| tree
2017-03-19	Mark Abraham	Fix string handling for gcc 7	commit \| commitdiff \| tree
2017-03-14	Erik Lindahl	Fix gcc compiles of AVX-512 SIMD	commit \| commitdiff \| tree
2017-02-14	Mark Abraham	Fix handling of previous virials	commit \| commitdiff \| tree
2017-02-10	Roland Schulz	Remove duplicate AVX512 gather definitions	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Remove EST_DISTR from state.h	commit \| commitdiff \| tree
2017-02-09	Mark Abraham	Enhance warninp	commit \| commitdiff \| tree
2017-02-08	Roland Schulz	AVX512: Use double-sized gather for pairs of floats	commit \| commitdiff \| tree
2017-02-07	Mark Abraham	Introduced system preparation section to user guide	commit \| commitdiff \| tree
2017-02-03	David van der Spoel	Fixes SEGV in gmx order.	commit \| commitdiff \| tree
2017-01-11	Roland Schulz	Tidy: modernize-use-nullptr	commit \| commitdiff \| tree
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