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use tMPI API for thread affinity setting
2012-11-28
Szilard Pall
use tMPI API for thread affinity setting
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2012-11-28
Sander Pronk
Fixed Windows tMPI_Thread_self().
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2012-11-26
Sander Pronk
Fixed issues with g_bar help text.
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2012-10-15
Sander Pronk
Added thread affinity API to thread_mpi.
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2012-09-27
Sander Pronk
Fixed an off-by-one error in atom counting in gmx_dist.
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2012-09-13
Sander Pronk
Fixed a deadlock in tMPI_Comm_free()
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2012-09-05
Sander Pronk
Fixed an undefined return value in tMPI_Scan()
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2012-09-03
Sander Pronk
Fixed .g96 trajectory reading.
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2012-08-23
Sander Pronk
Newer version of thread_mpi, with various fixes, including...
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2012-08-23
Sander Pronk
Fixed segfault with FE code for older tpr files.
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2012-02-22
Sander Pronk
Fixed ABI warning for thread_mpi on gcc 4.6 for x86.
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2012-02-13
Sander Pronk
Fixed an allocation issue with dH histograms.
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2012-01-16
Sander Pronk
Thread affinity and x86 assembly fixes for thread_mpi
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2011-09-19
Sander Pronk
C89 fixes.
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2011-06-20
Sander Pronk
Fixed symtab buffer error message.
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2011-06-08
Sander Pronk
Added support for SunCC on Solaris/SPARC.
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2011-06-08
Sander Pronk
Adressed over-eager warnings that gcc 4.5 generates.
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2011-04-22
Sander Pronk
Better checks for pthread_setaffinity_np().
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2011-04-22
Sander Pronk
Hard CPU affinity is set when Nthreads == Ncores.
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2011-04-21
Sander Pronk
Windows build fix.
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2011-04-21
Sander Pronk
Added one last missing header in md_support.c
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2011-04-21
Sander Pronk
Fixed thread_mpi's Makefile.am to not include removed...
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2011-04-21
Sander Pronk
Added prototypes for functions in md_support.c to mdrun.h
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2011-04-20
Sander Pronk
Revert "NUMA aware memory allocators get called (for...
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2011-04-20
Sander Pronk
NUMA aware memory allocators get called (for Windows).
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2011-04-20
Sander Pronk
New thread_mpi library, with NUMA aware allocator for...
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2011-04-01
Sander Pronk
Fixed g_pme_error to use MPI, but not threads.
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2011-03-25
Sander Pronk
Fixed deallocation bug in energy history checkpoint
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2011-03-21
Sander Pronk
The -version flag now prints more information.
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2011-03-21
Sander Pronk
Fixed real/double issue in gmx_density
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2011-03-17
Sander Pronk
Various fixes for Windows builds.
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2011-03-16
Sander Pronk
mdrun -multi, multidir and replica exchange now exchange...
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2011-03-15
Sander Pronk
Multisim simulations now all stop when the first one...
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2011-03-11
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2011-03-10
Sander Pronk
More allocation fixes for NUMA allocator.
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2011-03-10
Sander Pronk
Added documentation for multidir.
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2011-03-10
Sander Pronk
Added more support for multidir.
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2011-03-03
Sander Pronk
Replaced strdups with gmx_strdups so that they can...
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2011-02-20
Sander Pronk
Minor fix for when write_dhdl_file=false and delta_lambda...
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2011-02-10
Sander Pronk
Fixed a bug in g_energy -odh
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2010-11-19
Sander Pronk
Fixed TMPI_WAIT_FOR_NO_ONE deadlock.
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2010-11-02
Sander Pronk
Fixed double precision energy file reading + box matrix...
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2010-10-30
Sander Pronk
Added Windows macro for snprintf.
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2010-10-20
Sander Pronk
file reading error messages in g_bar less confusing.
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2010-10-18
Sander Pronk
Tries recovery during errors in .edr files.
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2010-10-18
Sander Pronk
Better time checks in .edrs wihtout version numbers.
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2010-10-18
Sander Pronk
More stringent .edr file data checks.
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2010-10-08
Sander Pronk
Now really fixed locking of log file.
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2010-10-07
Sander Pronk
cmake LIB environment variable check, and GMXRC check...
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2010-10-05
Sander Pronk
Modified FORTRAN and threads warning.
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2010-09-30
Sander Pronk
Error message on enabling FORTRAN and threads.
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2010-09-22
Sander Pronk
Added missing includes to gmx_tune_pme.c
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2010-09-17
Sander Pronk
Fixed more checkpointing issues with .edr dh data.
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2010-09-17
Sander Pronk
Checkpoints backward-compatible + more consistency...
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2010-09-17
Sander Pronk
Fixed checkpointing bug with g_bar energies
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2010-09-16
Sander Pronk
eneconv now warns when throwing away blocks with dH...
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2010-09-16
Sander Pronk
Improved performance of g_bar while reading .edr files...
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2010-09-15
Sander Pronk
More scheduler-friendly locks for gmxfio
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2010-09-09
Sander Pronk
Fixed a deadlock while closing files.
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2010-09-09
Sander Pronk
Fixed segv in trajana due to wrong cell index calculation.
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2010-09-08
Sander Pronk
Fixed segv while reading overly long lines in xvgr.c
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2010-09-07
Sander Pronk
Fixed segfault in g_bar with unequally distributed...
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2010-09-06
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-09-06
Sander Pronk
Fixed reading of older .xvg file formats in g_bar
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2010-09-06
Sander Pronk
Fixed misinterpretation of -b and -e in g_bar.
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2010-09-03
Sander Pronk
Added missing windows thread files to distribution...
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2010-09-01
Sander Pronk
Shared libraries off by default on Windows.
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2010-09-01
Sander Pronk
Added support for PGI atomics in thread_mpi.
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2010-09-01
Sander Pronk
Final thread_mpi fixes (ppc works, no deadlocks on...
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2010-09-01
Sander Pronk
Code reorg in thread_mpi
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2010-08-31
Sander Pronk
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-08-31
Sander Pronk
Fixed memory ordering issue on ppc with gcc&xlc.
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2010-08-31
Sander Pronk
thread_mpi fixes: gcc works on power7, xlc still does...
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2010-08-31
Sander Pronk
Fixed warning in gmx_energy
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2010-08-30
Sander Pronk
grompp calculates output size with dh data estimate.
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2010-08-30
Sander Pronk
Clearer error messages in g_energy.
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2010-08-30
Sander Pronk
Fixed the g_energy -odh option to be less confusing.
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2010-08-29
Sander Pronk
Made the dhdl_derivatives option do something when...
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2010-08-27
Sander Pronk
Fixed begin and end times in g_bar.
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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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