Merge branch release-2018
authorMark Abraham <mark.j.abraham@gmail.com>
Thu, 23 Aug 2018 21:40:50 +0000 (23:40 +0200)
committerMark Abraham <mark.j.abraham@gmail.com>
Fri, 24 Aug 2018 09:28:43 +0000 (11:28 +0200)
commit325c7f5343d44f8c8df575ee4d6d268fd99b284d
treee844d28c178f67d183f8f541849f7284df56d25e
parent1aa4fa40738209253abae5e3ebb8d3cf01b46950
parent770186e309cfd7f72a3104ca3ef44410bb26cec0
Merge branch release-2018

Clashes in set_pull_init signature.

Issues with new pull checks from LocalAtomSet refactoring.

Transfered change to PME-on-GPU availability to new
location.

Ignored changes to pre-submit, because no longer appropriate.

Adopted changes to gmx solvate into master. The new test
coverage finds a memory leak that is fixed in this patch with
a refactoring of sort_molecule and add_solv.

Needed to include domdec/collect.h now used in master because
a function call from it was introduced in release-2018.

Change-Id: I5f7fcdf52a6093b455bd6e31c264696d88ced2ac
31 files changed:
admin/builds/pre-submit-matrix.txt
cmake/gmxManageGPU.cmake
cmake/gmxVersionInfo.cmake
docs/CMakeLists.txt
docs/release-notes/index.rst
docs/user-guide/mdrun-performance.rst
src/buildinfo.h.cmakein
src/gromacs/domdec/domdec.cpp
src/gromacs/ewald/pme.cpp
src/gromacs/fileio/confio.cpp
src/gromacs/gmxana/gmx_rms.cpp
src/gromacs/gmxana/gmx_trjconv.cpp
src/gromacs/gmxpreprocess/grompp.cpp
src/gromacs/gmxpreprocess/readir.h
src/gromacs/gmxpreprocess/readpull.cpp
src/gromacs/gmxpreprocess/solvate.cpp
src/gromacs/gmxpreprocess/tests/solvate.cpp
src/gromacs/gpu_utils/gpu_utils.cu
src/gromacs/gpu_utils/ocl_compiler.cpp
src/gromacs/mdlib/calc_verletbuf.cpp
src/gromacs/mdlib/mdebin.cpp
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_data_mgmt.cu
src/gromacs/mdlib/nbnxn_ocl/nbnxn_ocl_data_mgmt.cpp
src/gromacs/mdlib/ns.cpp
src/gromacs/mdrun/minimize.cpp
src/gromacs/pulling/pull.h
src/gromacs/pulling/pullutil.cpp
src/gromacs/simd/impl_x86_avx_256/impl_x86_avx_256_simd_double.h
src/gromacs/simd/tests/simd_floatingpoint.cpp
src/gromacs/simd/tests/simd_integer.cpp
src/gromacs/utility/binaryinformation.cpp