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(parent: d308d41) | patch
Replace all mdrun rngs with cycle based rng
authorRoland Schulz <roland@utk.edu>
Mon, 20 Jan 2014 21:33:02 +0000 (16:33 -0500)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Wed, 26 Feb 2014 09:45:13 +0000 (10:45 +0100)
commitef2d19b37cb9978512f3ce8f0a6385cc44244d4d
tree8e918f7dff74355c65124289c3bb6a871b8303e3tree | snapshot
parentd308d41422ce052372667aca78aa911153e26eefcommit | diff
Replace all mdrun rngs with cycle based rng

The stateful random rumber generator (rng) used previously doesn't
produce reproducible results in parallel for sd/bd and doesn't
produce reproducible results for continutation for replica exchange.
The rng state has been removed from the checkpoint file.

Fixes #995

Change-Id: Id2a5d064cf363c54db3c16a0675cfeba553feeaa
40 files changed:
src/external/Random123-1.08/LICENSE [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/array.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/clangfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/compilerfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/gccfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/iccfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/msvcfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/nvccfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/open64features.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/openclfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/pgccfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/sse.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/sunprofeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/features/xlcfeatures.h [new file with mode: 0644] blob
src/external/Random123-1.08/include/Random123/threefry.h [new file with mode: 0644] blob
src/gromacs/fileio/trajectory_writing.c diff | blob | history
src/gromacs/fileio/trajectory_writing.h diff | blob | history
src/gromacs/gmxlib/checkpoint.c diff | blob | history
src/gromacs/gmxlib/mvdata.c diff | blob | history
src/gromacs/gmxlib/typedefs.c diff | blob | history
src/gromacs/legacyheaders/checkpoint.h diff | blob | history
src/gromacs/legacyheaders/mdrun.h diff | blob | history
src/gromacs/legacyheaders/types/state.h diff | blob | history
src/gromacs/legacyheaders/update.h diff | blob | history
src/gromacs/mdlib/coupling.c diff | blob | history
src/gromacs/mdlib/domdec.c diff | blob | history
src/gromacs/mdlib/domdec_top.c diff | blob | history
src/gromacs/mdlib/expanded.c diff | blob | history
src/gromacs/mdlib/init.c diff | blob | history
src/gromacs/mdlib/minimize.c diff | blob | history
src/gromacs/mdlib/sim_util.c diff | blob | history
src/gromacs/mdlib/tpi.c diff | blob | history
src/gromacs/mdlib/update.c diff | blob | history
src/gromacs/random/random.c diff | blob | history
src/gromacs/random/random.h diff | blob | history
src/gromacs/tools/convert_tpr.c diff | blob | history
src/programs/mdrun/md.c diff | blob | history
src/programs/mdrun/repl_ex.c diff | blob | history
src/programs/mdrun/runner.c diff | blob | history
tests/CppCheck.cmake diff | blob | history
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