Merge release-4-6 into master
authorRoland Schulz <roland@utk.edu>
Tue, 15 Jan 2013 21:00:15 +0000 (16:00 -0500)
committerRoland Schulz <roland@utk.edu>
Tue, 15 Jan 2013 22:50:22 +0000 (17:50 -0500)
commit2979cccecba870240c2c2685d1518e60845b80d5
tree84f716e6f64e1a87c3eaf8a456a9cb1862437b63
parent5fb0c1cc4a8a685900fa35f21ff0b7e55ab7d2ae
parent9334c9808a53eda950ee520f5378a299cdac8198
Merge release-4-6 into master

Ontop of resolving conflicts:
- Removed any newly added GMX.*EXPORT
  (no visibility yet in master)
- Adapted gmxTestCXX11.cmake to the new approach of setting flags
  without caching
- Removed deleted g_dih from symlinking and legacymodules.cpp
- Fix gmx_cpuid.c (also part of I0ad9ca77b)

Changes not applied
- Template building (c22f43f2932c0332c939cfc44)
- Removed libmd renamed (3f231be160c46)

Conflicts:
CMakeLists.txt (mostly easy - moved comment about
    Windows and BUILD_SHARED_LIBS, and changes related to
            gmxTestCXX11)
cmake/gmxCFlags.cmake
include/nbsearch.h (only Export ignored)
include/trajana.h (only Export ignored)
share/template/CMakeLists.txt (changes not applied)
src/gmxlib/CMakeLists.txt (changes not applied)
src/gmxlib/cuda_tools/copyrite_gpu.cu (moved to src/gromacs)
src/gmxlib/gpu_utils/CMakeLists.txt (only exports - ignored)
src/gromacs/legacyheaders/edsam.h
src/gromacs/legacyheaders/gmx_ana.h
src/gromacs/legacyheaders/gmx_cpuid.h
src/gromacs/libgromacs.pc.cmakein
src/gromacs/mdlib/edsam.c
src/gromacs/mdlib/forcerec.c
src/gromacs/selection/compiler.cpp
src/kernel/CMakeLists.txt
src/mdlib/CMakeLists.txt (ignored Export&rename)
src/mdlib/libmd.pc.cmakein (only rename - ignored)
src/mdlib/nbnxn_cuda/CMakeLists.txt (only Export ignored)
src/tools/CMakeLists.txt
src/tools/gmx_dih.c
src/tools/gmx_sans.c

Change-Id: I28541d3c871feb7261c685793b36045e1806014d
202 files changed:
CMakeLists.txt
admin/programs.txt
cmake/FindFFTW.cmake
cmake/Platform/BlueGeneL-static-XL-C.cmake
cmake/Platform/BlueGeneP-static-XL-C.cmake
cmake/gmxCFlags.cmake
cmake/gmxManageGPU.cmake
cmake/gmxManageMPI.cmake
cmake/gmxTestCXX11.cmake
scripts/GMXRC.cmakein
share/html/online.html
src/config.h.cmakein
src/gromacs/CMakeLists.txt
src/gromacs/gmxlib/atomprop.c
src/gromacs/gmxlib/checkpoint.c
src/gromacs/gmxlib/copyrite.c
src/gromacs/gmxlib/cuda_tools/copyrite_gpu.cu
src/gromacs/gmxlib/filenm.c
src/gromacs/gmxlib/gmx_cpuid.c
src/gromacs/gmxlib/gmx_detect_hardware.c
src/gromacs/gmxlib/gmx_omp_nthreads.c
src/gromacs/gmxlib/ifunc.c
src/gromacs/gmxlib/mshift.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_double/kernelutil_x86_avx_128_fma_double.h
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_128_fma_single/kernelutil_x86_avx_128_fma_single.h
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/kernelutil_x86_avx_256_double.h
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwCSTab_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwLJ_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCSTab_VdwNone_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwCSTab_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwLJ_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecCoul_VdwNone_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwLJSh_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSh_VdwNone_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwLJSw_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEwSw_VdwNone_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwCSTab_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwLJ_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecEw_VdwNone_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwCSTab_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwLJ_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecGB_VdwNone_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwCSTab_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSh_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJSw_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecNone_VdwLJ_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwCSTab_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSh_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwLJSw_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRFCut_VdwNone_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwCSTab_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwLJ_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomP1P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW3W3_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4P1_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_ElecRF_VdwNone_GeomW4W4_avx_256_double.c
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_double/nb_kernel_template_avx_256_double.pre
src/gromacs/gmxlib/nonbonded/nb_kernel_avx_256_single/kernelutil_x86_avx_256_single.h
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_double/kernelutil_x86_sse2_double.h
src/gromacs/gmxlib/nonbonded/nb_kernel_sse2_single/kernelutil_x86_sse2_single.h
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_double/kernelutil_x86_sse4_1_double.h
src/gromacs/gmxlib/nonbonded/nb_kernel_sse4_1_single/kernelutil_x86_sse4_1_single.h
src/gromacs/gmxlib/sfactor.c
src/gromacs/gmxlib/thread_mpi/collective.c
src/gromacs/gmxlib/thread_mpi/once.c
src/gromacs/gmxlib/thread_mpi/tmpi_init.c
src/gromacs/gmxpreprocess/readir.c
src/gromacs/legacyheaders/edsam.h
src/gromacs/legacyheaders/gmx_ana.h
src/gromacs/legacyheaders/gmx_cpuid.h
src/gromacs/legacyheaders/gmx_math_x86_avx_128_fma_double.h
src/gromacs/legacyheaders/gmx_simd_macros.h
src/gromacs/legacyheaders/gmx_x86_avx_128_fma.h
src/gromacs/legacyheaders/gmx_x86_avx_256.h
src/gromacs/legacyheaders/main.h
src/gromacs/legacyheaders/mshift.h
src/gromacs/legacyheaders/thread_mpi/atomic/gcc_x86.h
src/gromacs/legacyheaders/types/filenm.h
src/gromacs/legacyheaders/types/graph.h
src/gromacs/legacyheaders/types/nb_verlet.h
src/gromacs/legacyheaders/types/nbnxn_pairlist.h
src/gromacs/legacyheaders/types/state.h
src/gromacs/legacyheaders/vec.h
src/gromacs/libgromacs.pc.cmakein
src/gromacs/mdlib/constr.c
src/gromacs/mdlib/coupling.c
src/gromacs/mdlib/domdec.c
src/gromacs/mdlib/edsam.c
src/gromacs/mdlib/fft5d.h
src/gromacs/mdlib/forcerec.c
src/gromacs/mdlib/gmx_wallcycle.c
src/gromacs/mdlib/init.c
src/gromacs/mdlib/nbnxn_atomdata.c
src/gromacs/mdlib/nbnxn_consts.h
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel.cuh
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_legacy.cuh
src/gromacs/mdlib/nbnxn_cuda/nbnxn_cuda_kernel_utils.cuh
src/gromacs/mdlib/nbnxn_internal.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_gpu_ref.c
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_ref_outer.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_simd_2xnn_inner.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_simd_2xnn_outer.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_simd_4xn_inner.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_simd_4xn_outer.h
src/gromacs/mdlib/nbnxn_kernels/nbnxn_kernel_simd_utils.h
src/gromacs/mdlib/nbnxn_search.c
src/gromacs/mdlib/sim_util.c
src/gromacs/mdlib/tables.c
src/programs/gmx/CreateLinks.cmake.cmakein
src/programs/gmx/legacymodules.cpp
src/programs/gmxcheck/gmxcheck.c
src/programs/grompp/convparm.c
src/programs/mdrun/md.c
src/programs/mdrun/mdrun.c
src/programs/mdrun/repl_ex.c
src/programs/mdrun/runner.c
src/programs/pdb2gmx/hizzie.c
src/programs/pdb2gmx/pdb2gmx.c
src/tools/CMakeLists.txt
src/tools/gmx_angle.c
src/tools/gmx_genpr.c
src/tools/gmx_helix.c
src/tools/gmx_make_edi.c
src/tools/gmx_rmsf.c
src/tools/gmx_tune_pme.c