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SYCL: Avoid using no_init read accessor in rocFFT
2010-08-27
Sander Pronk
More documentation for g_bar.
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2010-08-27
Sander Pronk
Some documentation changes.
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2010-08-27
Sander Pronk
Some documentation changes.
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2010-08-26
Sander Pronk
gmx_bar now works with derivative histogram sets.
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2010-08-26
Sander Pronk
Free energy histogram bug fixes.
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2010-08-26
Sander Pronk
derivative histograms are now written in both positive...
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2010-08-26
Sander Pronk
g_bar reads dhdl.xvg files without derivatives.
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2010-08-26
Sander Pronk
Free energy writing to ener.edr and four new options...
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2010-08-24
Sander Pronk
Another try with xlc/ppc atomics..
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2010-08-23
Sander Pronk
Modified memory barrier on ppc/xlc.
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2010-08-23
Sander Pronk
Enabled gcc atomic intrinsics for gcc on ppc.
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2010-08-23
Sander Pronk
More xlc ppc changes to thread_mpi
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2010-08-23
Sander Pronk
Completely removed all occurrences of 'inline' for...
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2010-08-20
Sander Pronk
Added support for new mdp options controlling free...
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2010-08-19
Sander Pronk
Fixed get_libdir() PATH search.
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2010-08-18
Sander Pronk
Cmake tests for SIGUSR1
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2010-08-17
Sander Pronk
Fixed thread_mpi inline assembly issue and non-optimized...
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2010-08-17
Sander Pronk
fsync fix for FAH core.
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2010-08-16
Sander Pronk
Fixed xdr3dfcoord thread safety issues.
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2010-08-16
Sander Pronk
Moved the OS-dependent part of gmx_fio_fsync() to futil.c
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2010-08-14
Sander Pronk
Fixed an issue with gmx_copy_file that would allow...
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2010-08-11
Sander Pronk
Merge remote branch 'origin/release-4-5-patches'
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2010-08-11
Sander Pronk
C++ type fixes in thread_mpi atomics.
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2010-08-11
Sander Pronk
Cmake now honors CFLAGS/CXXFLAGS as much as it can.
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2010-08-09
Sander Pronk
Small fix to deal with possible overflows in dh binning.
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2010-08-09
Sander Pronk
Now correctly checkpoints on dhdl histograms/lists...
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2010-08-06
Sander Pronk
Merge remote branch 'origin/release-4-5-patches'
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2010-08-06
Sander Pronk
BAR calculations can now store energy histograms in...
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2010-08-02
Sander Pronk
Added an uninstall target to CMake builds.
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2010-08-02
Sander Pronk
Added missing .h file.
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2010-08-02
Sander Pronk
Fixed shared library build by removing references to...
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2010-07-30
Sander Pronk
More onerous locking of open_files in gmx_fio.
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2010-07-30
Sander Pronk
Fixed ffclose bug in futil.c, gmx_fio_close now checks...
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2010-07-30
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-30
Sander Pronk
Fixed a potential mutex problem in gmx_fio.c
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2010-07-29
Sander Pronk
.edr block gmxdump fixes.
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2010-07-27
Sander Pronk
Re-added sched.h define in config.h.cmakein.
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2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-26
Sander Pronk
Added support for Windows _fseeki64.
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2010-07-26
Sander Pronk
Windows fixes.
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2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-26
Sander Pronk
Fixed more thread_mpi installation issues.
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2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-26
Sander Pronk
Fixed thread_mpi distribution issues.
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2010-07-26
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-07-26
Sander Pronk
Fixed faulty commit.
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2010-07-26
Sander Pronk
Removed redundant header files from thread_mpi.
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2010-07-25
Sander Pronk
Removed extraneous argument from filter_ter().
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2010-07-24
Sander Pronk
New .edr file format: now supports blocks of arbitrary...
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2010-07-22
Sander Pronk
Small bugfix for previous commit.
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2010-07-22
Sander Pronk
Serialized access to FORTRAN bindings of gromacs's...
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2010-07-22
Sander Pronk
Overlinking issues with 3d party tools fixed for autotools.
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2010-07-21
Sander Pronk
Removed reference to orig.h in thread_mpi Makefile.am
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2010-07-21
Sander Pronk
thread_mpi header files are now in sync with source...
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2010-07-20
Sander Pronk
Small C syntax fix.
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2010-07-06
Sander Pronk
Minor Windows thread fixes.
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2010-07-05
Sander Pronk
Added option to ingore fsync failures.
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2010-07-05
Sander Pronk
More thread_mpi fixes.
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2010-07-05
Sander Pronk
Added missing include files in thread_mpi
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2010-07-05
Sander Pronk
Fixed thread_mpi header installs.
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2010-07-05
Sander Pronk
Fixed header files to be able to link 3d party code...
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2010-07-02
Sander Pronk
Fixed missing prototype in genborn.c
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2010-07-02
Sander Pronk
SSE fix for incorrect cast; fixes bug 441.
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2010-07-02
Sander Pronk
more cflags.
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2010-07-02
Sander Pronk
more cflags.
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2010-07-01
Sander Pronk
Added pathscale cflags.
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2010-07-01
Sander Pronk
Automatic CFLAGS in CMake for PGI, xlc compilers.
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2010-07-01
Sander Pronk
More thread safety fixes in gmxlib.
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2010-06-30
Sander Pronk
Now sets the right FLAGS variables with CMake.
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2010-06-30
Sander Pronk
Streamlined CFLAGS testing in cmake.
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2010-06-30
Sander Pronk
Added test for MSVC _aligned_malloc.
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2010-06-30
Sander Pronk
C90 fixes in qm_orca.c, fixed line endings to UNIX...
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2010-06-29
Sander Pronk
Bug fix for the previous commit
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2010-06-29
Sander Pronk
Simplified aligned mallocs and frees.
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2010-06-29
Sander Pronk
Merge branch 'master' of git.gromacs.org:gromacs
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2010-06-29
Sander Pronk
Made aligned_malloc thread safe.
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2010-06-27
Sander Pronk
minor thread mpi fix for C++.
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2010-06-24
Sander Pronk
XDR file I/O is now thread safe.
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2010-06-22
Sander Pronk
More C90 fixes in membed.
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2010-06-22
Sander Pronk
C90 fixes.
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2010-06-22
Sander Pronk
vmdio error message fix.
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2010-06-22
Sander Pronk
Most (if not all) file operations are now thread safe.
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2010-06-15
Sander Pronk
Fixed return values for MPI_Comm_compare in thread_mpi.
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2010-06-14
Sander Pronk
Added MPI_Comm_compare() to thread_mpi.
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2010-06-12
Sander Pronk
More C90 pedantry.
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2010-06-11
Sander Pronk
Fixed another batch of // comments.
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2010-06-11
Sander Pronk
Removed references to MPI_Wtime() for when MPI is not...
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2010-06-11
Sander Pronk
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-11
Sander Pronk
Pointer arithmetic bug fix in mshift.c
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2010-06-11
Sander Pronk
Fixed an allocation error during thread spawns.
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2010-06-11
Sander Pronk
Automatic C flags for icc with cmake.
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2010-06-11
Sander Pronk
x86 assembly fix in thread sync atomics.
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2010-06-11
Sander Pronk
Merge branch 'threadspawn'
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2010-06-11
Sander Pronk
Cleaned up code that determines thread number.
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2010-06-11
Sander Pronk
Removed -std=gnu99 from CXXFLAGS for C++.
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2010-06-11
Sander Pronk
Number of threads is now also determined by system...
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2010-06-10
Sander Pronk
cmake counterpart to David's binary renamings.
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2010-06-09
Sander Pronk
cmake bug fixes: now compiles with cmake 2.6.0.
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2010-06-09
Sander Pronk
Automatic compiler flags assembly/sse kernels with...
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2010-06-06
Sander Pronk
Previous checkpoint's won't be overwritten by newer...
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