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alexxy/gromacs.git
2013-03-27
Berk Hess
corrected log file wall time breakdown
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2013-03-19
Christoph Junghans
Merge "Essential dynamics: fixed legend in ED .xvg...
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2013-03-12
Mark Abraham
Merge "fix broken things in mkhtml" into release-4-6
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2013-03-11
Mark Abraham
Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...
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2013-03-08
Carsten Kutzner
Essential dynamics: fixed legend in ED .xvg output...
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2013-03-06
Roland Schulz
Merge "fixed PME time print with -ntomp_pme != -ntomp...
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2013-03-05
Mark Abraham
New patch release 4.6.1
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2013-03-05
Mark Abraham
Fix automated regression testing GMXLIB value
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2013-03-05
Berk Hess
fixed bug with DD cut-off check and PME DLB
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2013-03-05
Mark Abraham
Fix regressiontests automated download
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2013-03-05
Berk Hess
fixed recent bug with sorting atoms for GPUs
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2013-03-05
Mark Abraham
Update shell completions
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2013-03-05
Mark Abraham
Update outdated admin things
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2013-03-05
Roland Schulz
Fixes linkage with FFTW + MKL for BLAS/LAPACK
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2013-03-05
Justin Lemkul
Fixes for install guide page.
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2013-03-05
Mark Abraham
Updated install guide
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2013-03-05
Mark Abraham
Warn if X11 was not found and the user wanted it
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2013-03-05
Mark Abraham
fix broken things in mkhtml
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2013-03-02
Christoph Junghans
Merge "Uncrustified code changes since 4.6" into releas...
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2013-02-28
Peter Kasson
Declaration-definition consistency nbxn_cuda_wait_gpu.
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2013-02-26
Berk Hess
fixed PME time print with -ntomp_pme != -ntomp
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2013-02-26
Mark Abraham
Uncrustified code changes since 4.6
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2013-02-25
Michael Shirts
fix imcompatibility with tpr vers<64 with free energy...
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2013-02-20
Christoph Junghans
Bump shared object version to 8
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2013-02-20
Berk Hess
fixed issues with FEP soft-core and cut-off's
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2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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2013-02-18
Berk Hess
fixed GPU particle gridding performance issue
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2013-02-18
Carsten Kutzner
Made g_tune_pme work with 4.6 if user sets "-p" command...
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2013-02-18
Mark Abraham
Fix CMake namespace pollution
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2013-02-18
Roland Schulz
Issue errors/warnings for ICC before 12.0.0
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2013-02-15
Michael Shirts
bugfix for md-vv + nose-hoover + (nstcalcenergy > nsttc...
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2013-02-15
Mark Abraham
Use explicit kernel pointer typecasts
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2013-02-15
Mark Abraham
Merge "Minor fixes to Verlet kernels" into release-4-6
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2013-02-15
Mark Abraham
Merge "improved PME load balancing reporting" into...
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2013-02-15
Mark Abraham
Merge "Re-generated group kernels" into release-4-6
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2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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2013-02-15
David van der...
Merge "Fixed an initialization issue in gmx_dipoles...
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2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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2013-02-15
Mark Abraham
Merge "More descriptive Verlet kernel macro parameter...
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2013-02-15
Sander Pronk
Fixed an initialization issue in gmx_dipoles.
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2013-02-15
Berk Hess
improved PME load balancing reporting
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2013-02-15
Mark Abraham
Minor fixes to Verlet kernels
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2013-02-15
Peter Kasson
Unwinds flag dependencies in g_order.
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2013-02-15
Mark Abraham
Merge "Fix and add Verlet kernel error messages" into...
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2013-02-13
Sander Pronk
Merge "Fix code bug with thread-MPI on PowerPC with...
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2013-02-13
Roland Schulz
Merge "Fixed the MPI recognition string in g_tune_pme...
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2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into releas...
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2013-02-13
David van der...
Plain text quotes.
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2013-02-13
Mark Abraham
Fix code bug with thread-MPI on PowerPC with xlc
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2013-02-13
Mark Abraham
More descriptive Verlet kernel macro parameter names
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2013-02-13
Mark Abraham
Fix and add Verlet kernel error messages
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2013-02-13
Mark Abraham
Re-generated group kernels
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2013-02-13
Sander Pronk
Added extra check in for setaffinity support.
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2013-02-13
Carsten Kutzner
Fixed the MPI recognition string in g_tune_pme
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2013-02-13
Roland Schulz
Merge "Updated FindGSL.cmake to version written by...
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2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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2013-02-12
Christoph Junghans
Updated FindGSL.cmake to version written by me.
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2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threadin...
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2013-02-12
Mark Abraham
Merge "Fix CUDA_HOST_COMPILER flag name" into release-4-6
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2013-02-10
Szilárd Páll
use legacy CUDA non-bonded kernels only on Fermi
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2013-02-09
Roland Schulz
Merge "Typo fix" into release-4-6
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2013-02-09
Mark Abraham
Typo fix
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2013-02-08
Roland Schulz
Fix CUDA_HOST_COMPILER flag name
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2013-02-08
Mark Abraham
Merge "added back cuda.h includes to fix missing CUDA_V...
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2013-02-08
Mark Abraham
Merge "Fixed flop counting for generic cg/adress kernel...
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2013-02-08
Mark Abraham
Merge "cmake: fixed typo in template CMakeLists.txt...
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2013-02-06
Berk Hess
fixed bug with sd integrator and OpenMP threading
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2013-02-05
Christoph Junghans
Merge "Documented what GMX_CPU_ACCELERATION really...
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2013-02-05
Christoph Junghans
improve setup of multiple tf tables
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2013-02-05
Mark Abraham
Merge "improved load balancing on the GPU" into release-4-6
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2013-02-05
Mark Abraham
Documented what GMX_CPU_ACCELERATION really means
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2013-02-05
Berk Hess
improved load balancing on the GPU
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2013-02-04
Berk Hess
fixed segv in init_forcerec with fr->hwinfo=NULL
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2013-02-02
Christoph Junghans
Fixed flop counting for generic cg/adress kernels
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2013-02-02
Christoph Junghans
cmake: fixed typo in template CMakeLists.txt
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2013-02-01
Berk Hess
PME-only counters are now reset with -maxh -resethway
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2013-01-29
Sebastian Fritsch
AdResS: fixes bug in the neighbour list routine
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2013-01-25
Christoph Junghans
fixed copyright of adress kernel
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2013-01-25
Christoph Junghans
Merge "Moved a few comments back into position" into...
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2013-01-24
Han Wang
fix invalid read in construct_vsites
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2013-01-24
Szilard Pall
added back cuda.h includes to fix missing CUDA_VERSION
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2013-01-22
Mark Abraham
Merge "Illegal acceleration defaulted to QPX" into...
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2013-01-22
Mark Abraham
Merge "Re-licenced FindGROMACS.cmake (was written by...
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2013-01-22
Roland Schulz
Illegal acceleration defaulted to QPX
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2013-01-22
Mark Abraham
Merge "Fix TOUPPER usage" into release-4-6
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2013-01-22
Mark Abraham
Merge "Updated html manual to 4.6" into release-4-6
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2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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2013-01-22
Roland Schulz
Fix TOUPPER usage
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2013-01-22
Roland Schulz
Updated html manual to 4.6
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2013-01-22
Carsten Kutzner
Moved a few comments back into position
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2013-01-21
Christoph Junghans
Merge "Set version info for 4.6.x release series" into...
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2013-01-19
Christoph Junghans
Re-licenced FindGROMACS.cmake (was written by me)
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2013-01-19
Roland Schulz
Fix AVX double compile error
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2013-01-19
Roland Schulz
Add fftpack to EXTRA_DIST
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2013-01-19
Roland Schulz
Release 4.5.6
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2013-01-18
Mark Abraham
Set version info for 4.6.x release series
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2013-01-18
Mark Abraham
New major release: 4.6
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2013-01-18
Michael Shirts
Addendum for expanded ensemble options plus formatting...
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2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Roland Schulz
Fix typo
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