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Fix bug in GPU list balancing
[alexxy/gromacs.git]
/
src
/
tools
/
2015-06-22
Berk Hess
Fix g_energy average/RMSD bug
tree
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commitdiff
2014-08-15
Carsten Kutzner
Fixed output of eigenvalues in g_covar. Fixes #1575
tree
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commitdiff
2014-06-29
David van der Spoel
Fixes #1532, SEGV in g_current.
tree
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commitdiff
2014-06-20
Berk Hess
Fix g_mindist with pbc=XY
tree
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commitdiff
2014-06-18
Erik Lindahl
Fixed CMake 2.8.12+ CUDA dylib bugs and warnings on...
tree
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commitdiff
2014-06-14
Erik Lindahl
Make sure figure legends are adapted to xmgr/xmgrace
tree
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commitdiff
2014-06-13
David van der Spoel
Fix memory-usage error in g_chi
tree
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commitdiff
2014-06-13
Erik Lindahl
Force g_bond to use structure file
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commitdiff
2014-06-12
Erik Lindahl
Make sure genrestr uses the disre_up2 parameter
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commitdiff
2014-06-11
Erik Lindahl
Avoid writing xvgr formatting with -xvg none
tree
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commitdiff
2014-06-09
Rossen Apostolov
Issue a warning for using gmx_rms -prev with large...
tree
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commitdiff
2014-06-02
Berk Hess
Fixed g_energy Einstein viscosity
tree
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commitdiff
2014-05-22
Roland Schulz
Fix memory issue in solvate
tree
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commitdiff
2014-05-20
Justin Lemkul
Improvements to the g_lie help description.
tree
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commitdiff
2014-05-16
David van der Spoel
Fixes a complicated bug in g_anaeig.
tree
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commitdiff
2014-05-09
Alexey Shvetsov
Fix clang 3.5 warnings regarding *abs*
tree
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commitdiff
2014-04-09
Carlo Camilloni
Fixed g_rmsdist NOE calculation
tree
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commitdiff
2014-04-07
Mark Abraham
Fix invalid dereference in g_tune_pme
tree
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commitdiff
2014-03-14
Carsten Kutzner
The van der Waals radius must equal the Coulomb radius...
tree
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commitdiff
2014-03-02
Teemu Murtola
Fix incorrect grid cell size in g_sas -nopbc
tree
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commitdiff
2014-02-11
Jan Henning Peters
Added safety check for fitting group in anaeig.
tree
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commitdiff
2014-01-09
David van der Spoel
Fixed precision in thermal expansion coefficient calc.
tree
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commitdiff
2013-12-26
Carsten Kutzner
Pass on default value of radstep in make_edi
tree
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commitdiff
2013-10-17
Mark Abraham
Fix typo in g_membed documentation
tree
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commitdiff
2013-10-16
Berk Hess
fixed a half bin misalignment in gmx_vanhove -or
tree
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commitdiff
2013-09-29
Jarvist Moore Frost
Corrected info text. -center --> -boxcenter
tree
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commitdiff
2013-09-27
Manuel Luitz
Fixed limitations in g_cluster
tree
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commitdiff
2013-09-20
Mark Abraham
Described another way g_tune_pme might reasonably fail
tree
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commitdiff
2013-09-19
Mark Abraham
Fixed g_tune_pme assumption that MPI is available
tree
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commitdiff
2013-07-25
Justin Lemkul
Updated dlist.c to recognize more atom names.
tree
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commitdiff
2013-07-24
David van der Spoel
Fixes #1312 uninitialized error in g_enemat.
tree
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commitdiff
2013-07-06
Christoph Junghans
more pkg-config fixes
tree
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commitdiff
2013-07-04
Christoph Junghans
Fixed some inconsistencies in pkg-config files
tree
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commitdiff
2013-06-26
Carsten Kutzner
Fixed -npstring command line argument in g_tune_pme
tree
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commitdiff
2013-06-20
Michael Shirts
Fixing a problem when dhdl and replex are not multiples
tree
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commitdiff
2013-06-14
Berk Hess
fixed minor g_bar output issues
tree
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commitdiff
2013-06-06
Pedro Lacerda
Various fixes for genion
tree
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commitdiff
2013-05-22
Mark Abraham
Clarify g_gyrate -h
tree
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commitdiff
2013-05-22
Mark Abraham
Fix g_chi -omega
tree
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commitdiff
2013-05-22
Pedro Lacerda
Fix genion -nq and -pq when using -neutral
tree
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commitdiff
2013-05-21
P S Lacerda
Fix -neutral option in genion
tree
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commitdiff
2013-05-16
Justin Lemkul
Fixed g_sgangle legends.
tree
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commitdiff
2013-05-15
Christoph Junghans
Merge "fixed incorrect scaling of cos-acceleration...
tree
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commitdiff
2013-05-10
Sander Pronk
Merge "Fixing handling of perturbation mass changes...
tree
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commitdiff
2013-05-10
Mark Abraham
Merge "Fixes "Function type U-B not implemented in...
tree
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commitdiff
2013-05-10
Mark Abraham
Merge "fixing rerun with free energy + .xtc or .gro...
tree
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commitdiff
2013-05-07
Mark Abraham
Fix extant references to former GPL licensing
tree
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commitdiff
2013-05-02
David van der Spoel
Fixes #1238 g_hydorder does not call set_pbc.
tree
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commitdiff
2013-04-26
Mark Abraham
Merge "CUDA PME kernels with analytical Ewald correctio...
tree
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commitdiff
2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
tree
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commitdiff
2013-04-16
David van der Spoel
Merge "corrected grompp rvdw charge-group radii check...
tree
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commitdiff
2013-04-13
David van der Spoel
Merge "added mdrun check for Verlet+perturbed atoms...
tree
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commitdiff
2013-04-12
Mark Abraham
Merge "removed x86 specifics from nbnxn SIMD kernels...
tree
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commitdiff
2013-04-12
Mark Abraham
Merge "corrected log file wall time breakdown" into...
tree
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commitdiff
2013-04-12
Mark Abraham
Merge "made PME work with a mix of 1 and more threads...
tree
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commitdiff
2013-04-10
Teemu Murtola
Merge "Merge release-4-5-patches into release-4-6"...
tree
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commitdiff
2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2013-03-19
Christoph Junghans
Merge "Essential dynamics: fixed legend in ED .xvg...
tree
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commitdiff
2013-03-12
Mark Abraham
Merge "fix broken things in mkhtml" into release-4-6
tree
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commitdiff
2013-03-11
Mark Abraham
Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...
tree
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commitdiff
2013-03-07
David van der Spoel
Fixes #1183 PBC bug in g_mindist
tree
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commitdiff
2013-03-06
Roland Schulz
Merge "fixed PME time print with -ntomp_pme != -ntomp...
tree
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commitdiff
2013-03-05
Roland Schulz
Fixes linkage with FFTW + MKL for BLAS/LAPACK
tree
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commitdiff
2013-03-02
Christoph Junghans
Merge "Uncrustified code changes since 4.6" into releas...
tree
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commitdiff
2013-02-26
Mark Abraham
Uncrustified code changes since 4.6
tree
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commitdiff
2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2013-02-18
Carsten Kutzner
Made g_tune_pme work with 4.6 if user sets "-p" command...
tree
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commitdiff
2013-02-15
Mark Abraham
Merge "Minor fixes to Verlet kernels" into release-4-6
tree
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commitdiff
2013-02-15
Mark Abraham
Merge "improved PME load balancing reporting" into...
tree
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commitdiff
2013-02-15
Mark Abraham
Merge "Re-generated group kernels" into release-4-6
tree
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commitdiff
2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
tree
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commitdiff
2013-02-15
David van der Spoel
Merge "Fixed an initialization issue in gmx_dipoles...
tree
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commitdiff
2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
tree
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commitdiff
2013-02-15
Mark Abraham
Merge "More descriptive Verlet kernel macro parameter...
tree
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commitdiff
2013-02-15
Sander Pronk
Fixed an initialization issue in gmx_dipoles.
tree
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commitdiff
2013-02-15
Peter Kasson
Unwinds flag dependencies in g_order.
tree
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commitdiff
2013-02-15
Mark Abraham
Merge "Fix and add Verlet kernel error messages" into...
tree
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commitdiff
2013-02-13
Sander Pronk
Merge "Fix code bug with thread-MPI on PowerPC with...
tree
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commitdiff
2013-02-13
Roland Schulz
Merge "Fixed the MPI recognition string in g_tune_pme...
tree
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commitdiff
2013-02-13
Carsten Kutzner
Fixed the MPI recognition string in g_tune_pme
tree
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commitdiff
2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
tree
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commitdiff
2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2013-01-18
Roland Schulz
Code beautification with uncrustify
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commitdiff
2013-01-18
Roland Schulz
Add colon after macro to help uncrustify
tree
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commitdiff
2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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commitdiff
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...
tree
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commitdiff
2013-01-17
Christoph Junghans
Merge "use the compiler version provided by CMake ...
tree
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commitdiff
2013-01-17
Roland Schulz
Merge "Merge branch 'release-4-5-patches' into release...
tree
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commitdiff
2013-01-17
Mark Abraham
Merge "Fix trjconv -sub with .trr files" into release...
tree
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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...
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
Roland Schulz
Merge "Added check for valid wall_atomtype in .mdp...
tree
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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
Sander Pronk
Fixes to free energy code, output & g_bar compatibility.
tree
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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
Christoph Junghans
clean up fortran name mangling
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commitdiff
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