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alexxy/gromacs.git
2014-10-01
Mark Abraham
Version 5.0.2
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2014-10-01
Carsten Kutzner
Allow gmx tune_pme to skip the check for command-line...
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2014-09-30
Szilard Pall
Fix incorrect LJ cut-off with GPU + PME tuning
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2014-09-30
Berk Hess
Avoid DLB with overloaded PME ranks
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2014-09-30
Berk Hess
Added GPU local wait to load balancing
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2014-09-30
Erik Lindahl
Avoid using function calls in OpenMP directives
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2014-09-29
Berk Hess
Domain decomposition now checks the rlist buffer
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2014-09-29
Roland Schulz
Clarify GCC+Win+AVX warning
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2014-09-29
Berk Hess
SIMD acceleration for RB dihedrals
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2014-09-29
Mark Abraham
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2014-09-29
Berk Hess
Avoid PME tuning decreasing rcoulomb
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2014-09-29
Roland Schulz
Merge release-4-6 into release-5-0
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2014-09-29
Berk Hess
Fix calc_grid avoiding PME grid factor 84
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2014-09-26
Szilárd Páll
Fix incorrect assertion statement
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2014-09-23
David van der...
Fixes potential bug in neighborsearching.
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2014-09-22
Roland Schulz
Fix message about incorrect usage of dihedral type 9
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2014-09-20
Erik Lindahl
Fix RelWithDebInfo name bugs, and use full optimization.
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2014-09-18
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-09-18
Roland Schulz
Fix double linkage for tests
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2014-09-17
Roland Schulz
Add missing quotes
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2014-09-17
Roland Schulz
Fix shared libs for Mingw
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2014-09-17
Roland Schulz
Remove no-inline-max-size and suppress remark
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2014-09-17
Roland Schulz
Valgrind suppression for OS X 10.9
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2014-09-16
Roland Schulz
Fix warnings for ICC 15
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2014-09-11
Mark Abraham
Remove documentation references to optimize-fft
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2014-09-11
Erik Lindahl
Enable static anon namespace workaround on pathscale
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2014-09-09
Szilárd Páll
Fix malformed CUDA version macro check
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2014-09-09
Berk Hess
Fixed DD state collection issue
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2014-09-08
Berk Hess
Check for implicit solvent + Verlet scheme
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2014-09-05
Roland Schulz
Fix build for external boost 1.56.0
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2014-09-05
Mark Abraham
Version bumps after new release
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2014-09-05
Mark Abraham
Version 5.0.1
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2014-09-04
Roland Schulz
Add Mingw warnings
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2014-09-04
Erik Lindahl
K-computer specific modifications
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2014-09-04
Christoph Junghans
cmake: missing quote
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2014-09-03
Roland Schulz
Fix MingW build
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2014-09-03
Erik Lindahl
Fixed sc_power==48 crash in single precision
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2014-09-03
Mark Abraham
Fix mis-use of fabs in LAPACK
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2014-09-03
Mark Abraham
More hacking to get the template to detect and build
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2014-09-03
Roland Schulz
Fix that TNG tests were not run
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2014-09-03
Erik Lindahl
Fixed preprocessor error for AVX_128_FMA simd
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2014-09-02
Erik Lindahl
Fix formatting of fatal errors in g_bar
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2014-09-02
Roland Schulz
Fix PRINT_ALLOC_KB output
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2014-09-02
Magnus Lundborg
TNG Fix for GMX_DOUBLE builds and where ZLIB is not...
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2014-09-02
Magnus Lundborg
Fix data block length when uncompressing TNG data.
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2014-09-02
Erik Lindahl
Fixed string var expansion in CMake due to CMP0053
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2014-09-01
Magnus Lundborg
TNG: Handle large files on 32 bit systems.
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2014-09-01
Justin Lemkul
Updated x-axis label for g_wham.
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2014-09-01
Magnus Lundborg
When writing TNG include file closing in wallcycle.
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2014-09-01
Mark Abraham
Fix and document issues with template.cpp
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2014-09-01
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-09-01
Mark Abraham
Fixes and updates to BlueGene/Q support
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2014-09-01
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-09-01
Mark Abraham
Merge "Merge branch release-4-6 into release-5-0" into...
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2014-08-31
Erik Lindahl
Added negative zero preprocessor constants
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2014-08-30
David van der...
Fixes issue with vsiten and verlet buffers.
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2014-08-29
Mark Abraham
Version bump after 4.6.7
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2014-08-29
Mark Abraham
Merge branch release-4-6 into release-5-0
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2014-08-28
Berk Hess
Fixed two PME issues with MPI+OpenMP
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2014-08-25
Berk Hess
Fixed bugs in vsiteN with OpenMP
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2014-08-24
Berk Hess
Initialize unused velocity constraint components
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2014-08-23
Teemu Murtola
Backport of 'Remove unused figures from share/html/'
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2014-08-23
Mark Abraham
Generalize markdown configuration machinery
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2014-08-23
Mark Abraham
Unify documentation for webpage build
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2014-08-22
Mark Abraham
Fix zlib usage with TNG
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2014-08-21
Magnus Lundborg
Fixed TNG memory alignment problem and reset pointers.
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2014-08-20
Erik Lindahl
Add _GNU_SOURCE=1 to find clone() with PGI
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2014-08-20
Roland Schulz
Change error to warning for missing OMP_NUM_THREADS
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2014-08-20
Erik Lindahl
Fix matrix pointer dereference bug in update.c
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2014-08-20
Erik Lindahl
Enable SIMD register calling convention with gmx_simdcall
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2014-08-20
Erik Lindahl
Add cycle counters for 64-bit ARM
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2014-08-20
Erik Lindahl
Shorten plugin configuration message
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2014-08-18
Roland Schulz
Add Intel command line warning
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2014-08-17
Erik Lindahl
Fix Portland compiler warnings
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2014-08-17
Berk Hess
Halved the cost of the pull communication
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2014-08-17
Roland Schulz
Don't build tests until they are run
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2014-08-16
Mark Abraham
Fix gmx tune_pme with LJ-PME
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2014-08-16
Mark Abraham
Fix wallcycle counting with md-vv, sd and sd2
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2014-08-16
Teemu Murtola
Disable analysisdata generic tests if not compilable
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2014-08-15
Carsten Kutzner
Fixed output of eigenvalues in g_covar. Fixes #1575
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2014-08-14
Berk Hess
Corrected SIMD math overflow documentation
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2014-08-11
Stefan Fleischmann
Avoid stack overflow on Windows with CMake > 2.8.10.2
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2014-08-10
Erik Lindahl
Make internal BLAS/LAPACK messages less noisy
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2014-08-10
Erik Lindahl
Improve Gromacs portability
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2014-08-10
Erik Lindahl
Replace __LP64__ with check for pointer size
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2014-08-10
Berk Hess
Added checks for TPI + Verlet scheme
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2014-08-10
Roland Schulz
Check MD5sum for regressiontest
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2014-08-10
Roland Schulz
Merge release-4-6 into release-5-0
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2014-08-07
Erik Lindahl
Fix portability issue with ArrayRef initializer overloading
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2014-08-07
Erik Lindahl
Changed names of test files to avoid Fujitsu compiler bug
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2014-08-05
Berk Hess
Fix hang with LJ-PME and empty domains
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2014-08-05
Roland Schulz
Workaround for ICC 14
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2014-08-04
Teemu Murtola
Verify MD5 sum for FFTW download
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2014-08-02
Berk Hess
Fixed PME bug with high OpenMP thread count
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2014-08-01
Erik Lindahl
Added tests for denormal and underflow for simd exp()
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2014-07-31
Berk Hess
Avoid division by 0 in nbnxn_search
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2014-07-28
Christian Wennberg
Fix overflow in LJ-PME nbnxn kernels
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2014-07-28
Roland Schulz
Fix build of binary package
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2014-07-28
Roland Schulz
Add unit test for random/Threefry
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2014-07-28
Roland Schulz
Remove Random123/features
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