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remove unnecessary cmake messages
[alexxy/gromacs.git]
/
src
/
2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performan...
tree
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commitdiff
2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
tree
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commitdiff
2013-01-17
Christoph Junghans
Merge "Added note about make_edi and flooding in ED...
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commitdiff
2013-01-17
Christoph Junghans
Merge "use the compiler version provided by CMake ...
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commitdiff
2013-01-17
Roland Schulz
Merge "Merge branch 'release-4-5-patches' into release...
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commitdiff
2013-01-17
Szilárd Páll
Merge changes I930b316c,Iea4283e0,I103648f8 into releas...
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commitdiff
2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2013-01-17
Christoph Junghans
Merge "note the reason for auto-disabling GPU support...
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commitdiff
2013-01-17
Mark Abraham
Merge "Added mdp option 'calc-lambda-neighbors'." into...
tree
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commitdiff
2013-01-17
Roland Schulz
Merge "clarify wording of GPU driver-related notes...
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commitdiff
2013-01-17
Mark Abraham
Fix trjconv -sub with .trr files
tree
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commitdiff
2013-01-17
Berk Hess
fixed SD+BD integration slowing down with OpenMP threads
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commitdiff
2013-01-17
Berk Hess
improved CUDA kernel performance by pre-loading cj
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commitdiff
2013-01-17
Sander Pronk
Added mdp option 'calc-lambda-neighbors'.
tree
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commitdiff
2013-01-17
Sander Pronk
Fixes to free energy code, output & g_bar compatibility.
tree
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commitdiff
2013-01-17
Carsten Kutzner
Added note about make_edi and flooding in ED paragraph
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commitdiff
2013-01-17
Szilárd Páll
clarify wording of GPU driver-related notes
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commitdiff
2013-01-17
Mark Abraham
Finally move OpenMM to contrib
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commitdiff
2013-01-17
Roland Schulz
Fix confusing gmx_header_config.h include
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commitdiff
2013-01-17
Szilard Pall
don't use polling with new driver
tree
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commitdiff
2013-01-17
Christoph Junghans
clean up fortran name mangling
tree
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commitdiff
2013-01-17
Berk Hess
fixed nbnxn hybrid mode with OpenMP
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commitdiff
2013-01-17
Berk Hess
made PME load balancing + DD DLB more efficient
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commitdiff
2013-01-16
Carsten Kutzner
Made g_tune_pme work correctly again with thread-MPI...
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commitdiff
2013-01-16
Erik Lindahl
Fixed GB interactions for release-4-6
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commitdiff
2013-01-16
Berk Hess
split off pick_nbnxn_resource from nbnxn_pick_nbnxn
tree
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commitdiff
2013-01-16
Mark Abraham
Quiet stderr output, particularly for multi-simulations
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commitdiff
2013-01-16
Michael Shirts
fixes issues with pressure control and infrequent evalu...
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commitdiff
2013-01-15
Mark Abraham
Merge "Hid nbnxn kernel names behind a lookup function...
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commitdiff
2013-01-15
Christoph Junghans
Merge "Added fatal error for constraints + L-BFGS minim...
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commitdiff
2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensem...
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commitdiff
2013-01-15
Mark Abraham
Velocity-verlet integrators and v-rescale are broken
tree
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commitdiff
2013-01-14
Mark Abraham
Added fatal error for constraints + L-BFGS minimizer
tree
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commitdiff
2013-01-14
Mark Abraham
Hid nbnxn kernel names behind a lookup function
tree
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commitdiff
2013-01-14
Carsten Kutzner
Essential dynamics output file now in .xvg format
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commitdiff
2013-01-14
David van der Spoel
Merge "Fixing trjconv -sub" into release-4-5-patches
tree
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commitdiff
2013-01-14
David van der Spoel
Merge "Noting that and why gmxdump -s -sys is broken...
tree
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commitdiff
2013-01-13
Roland Schulz
Merge "Fixes for md-vv and rerun" into release-4-6
tree
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commitdiff
2013-01-13
Roland Schulz
Merge "fixed resetting states with parallel Verlet...
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commitdiff
2013-01-13
Mark Abraham
Updated code checks with distance restraints
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commitdiff
2013-01-13
Mark Abraham
Fixing trjconv -sub
tree
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commitdiff
2013-01-13
Roland Schulz
Proper fix for copyrite cuda dependence
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commitdiff
2013-01-13
Michael Shirts
Fixes for md-vv and rerun
tree
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commitdiff
2013-01-13
Berk Hess
fixed resetting states with parallel Verlet scheme
tree
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commitdiff
2013-01-13
Christoph Junghans
Merge "Remove unused bfunc.h." into release-4-6
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commitdiff
2013-01-13
Mark Abraham
Noting that and why gmxdump -s -sys is broken
tree
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commitdiff
2013-01-13
Christoph Junghans
Merge "Clarified some comments & warnings about thread...
tree
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commitdiff
2013-01-13
Christoph Junghans
Merge "Manage BlueGene/Q configuration" into release-4-6
tree
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commitdiff
2013-01-13
Christoph Junghans
Merge "Re-organize BlueGene toolchain files" into relea...
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commitdiff
2013-01-13
Christoph Junghans
Merge "Changed defaults for building shared libraries...
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commitdiff
2013-01-13
Mark Abraham
Clarified some comments & warnings about thread pinning
tree
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commitdiff
2013-01-13
Roland Schulz
Merge "prepared the nbnxn code for non-x86 SIMD" into...
tree
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commitdiff
2013-01-13
Mark Abraham
Manage BlueGene/Q configuration
tree
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commitdiff
2013-01-13
Mark Abraham
Merge "Added basic CPU topology information to cpuid...
tree
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commitdiff
2013-01-13
Teemu Murtola
Remove unused bfunc.h.
tree
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commitdiff
2013-01-12
Berk Hess
prepared the nbnxn code for non-x86 SIMD
tree
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commitdiff
2013-01-12
Christoph Junghans
Merge "Added missing export" into release-4-6
tree
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commitdiff
2013-01-11
Erik Lindahl
Merge "made SHAKE work again with particle decompostion...
tree
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commitdiff
2013-01-11
Roland Schulz
Merge "time the GPU force clearing async launch overhea...
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commitdiff
2013-01-11
Christoph Junghans
Merge "console and log output improvements" into releas...
tree
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commitdiff
2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
tree
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commitdiff
2013-01-11
Erik Lindahl
Added basic CPU topology information to cpuid code
tree
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commitdiff
2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2013-01-11
Berk Hess
made SHAKE work again with particle decompostion
tree
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commitdiff
2013-01-11
Erik Lindahl
Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...
tree
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commitdiff
2013-01-11
Szilard Pall
time the GPU force clearing async launch overhead
tree
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commitdiff
2013-01-11
Szilard Pall
console and log output improvements
tree
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commitdiff
2013-01-11
David van der Spoel
Fixes #994 confusion in atomprop.
tree
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commitdiff
2013-01-11
Roland Schulz
Merge "Handle compiler flags more flexibly" into releas...
tree
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commitdiff
2013-01-11
Christoph Junghans
Merge "Remove incorrect assert added by 05f9a740" into...
tree
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commitdiff
2013-01-10
Berk Hess
fixed nbnxn no LJ comb.rule AVX256 PME kernel
tree
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commitdiff
2013-01-10
Erik Lindahl
Fixed flop-accounting for periodic improper dihedrals
tree
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commitdiff
2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
tree
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commitdiff
2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communi...
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commitdiff
2013-01-10
Roland Schulz
Remove incorrect assert added by 05f9a740
tree
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commitdiff
2013-01-10
Roland Schulz
Merge "Move Windows shared/static options to later...
tree
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commitdiff
2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
tree
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commitdiff
2013-01-10
Berk Hess
fixed bug with Verlet + DD + bonded atom communication
tree
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commitdiff
2013-01-10
Erik Lindahl
Remove broken g_dih tool
tree
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commitdiff
2013-01-10
Mark Abraham
Merge "Fixes SSE/AVX compilation under Windows" into...
tree
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commitdiff
2013-01-10
Erik Lindahl
Revert default rlist/rvdw/rcoulomb to valid values...
tree
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commitdiff
2013-01-10
Erik Lindahl
Fixes SSE/AVX compilation under Windows
tree
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commitdiff
2013-01-09
Erik Lindahl
Merge "Corrected gmxcheck output for Gromos96 bonds...
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commitdiff
2013-01-09
Justin Lemkul
Corrected gmxcheck output for Gromos96 bonds.
tree
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commitdiff
2013-01-09
Roland Schulz
Merge "Added work-around for gcc bug in AVX intrinsincs...
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commitdiff
2013-01-09
Roland Schulz
Merge "Add check to remove zero Charmm dihedrals" into...
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commitdiff
2013-01-09
Roland Schulz
Merge "[tools] g_sans - add trajectory avereging" into...
tree
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commitdiff
2013-01-09
Erik Lindahl
Added work-around for gcc bug in AVX intrinsincs formal...
tree
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commitdiff
2013-01-08
Erik Lindahl
Add check to remove zero Charmm dihedrals
tree
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commitdiff
2013-01-08
Roland Schulz
Merge "Reduce use of monolithic sets of compiler flags...
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "fixed nbnxn AVX-256 Ewald table pointer alignmen...
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commitdiff
2013-01-07
Roland Schulz
Merge "cmake: remove double-negative quotes logic"...
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commitdiff
2013-01-07
Roland Schulz
Merge "Print out atom numbers in g_rmsf" into release...
tree
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commitdiff
2013-01-07
Berk Hess
fixed nbnxn AVX-256 Ewald table pointer alignment
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "Ignore bool cast warning for MSVC and C++" into...
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commitdiff
2013-01-07
David van der Spoel
Merge "Removed reference to nonexistent file in g_helix...
tree
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commitdiff
2013-01-07
Christoph Junghans
cmake: remove double-negative quotes logic
tree
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commitdiff
2013-01-07
Roland Schulz
Merge "improved reporting of failed affinity setting...
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed format error in online manual." into relea...
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commitdiff
2013-01-07
Roland Schulz
Merge "Fixed a bug that with multiple exchanges" into...
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