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fixed parallel normal modes with PME
[alexxy/gromacs.git]
/
admin
/
2013-07-25
Mark Abraham
Update management of linear algebra libraries
tree
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commitdiff
2013-07-07
Mark Abraham
Fixed minor admin issues
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commitdiff
2013-05-15
Christoph Junghans
Merge "fixed incorrect scaling of cos-acceleration...
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commitdiff
2013-05-10
Sander Pronk
Merge "Fixing handling of perturbation mass changes...
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commitdiff
2013-05-10
Mark Abraham
Merge "Fixes "Function type U-B not implemented in...
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commitdiff
2013-05-10
Mark Abraham
Merge "improve build with OpenMM, still not 100% fixed...
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commitdiff
2013-05-10
Mark Abraham
Merge "fixing rerun with free energy + .xtc or .gro...
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commitdiff
2013-05-10
Christoph Junghans
improve build with OpenMM, still not 100% fixed
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commitdiff
2013-05-07
Mark Abraham
Fix extant references to former GPL licensing
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commitdiff
2013-04-29
Mark Abraham
Merge "Update linking to MKL and document same" into...
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commitdiff
2013-04-26
Mark Abraham
Merge "CUDA PME kernels with analytical Ewald correctio...
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commitdiff
2013-04-26
Mark Abraham
Update linking to MKL and document same
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commitdiff
2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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commitdiff
2013-04-16
David van der Spoel
Merge "corrected grompp rvdw charge-group radii check...
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commitdiff
2013-04-13
David van der Spoel
Merge "added mdrun check for Verlet+perturbed atoms...
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commitdiff
2013-04-12
Mark Abraham
Merge "removed x86 specifics from nbnxn SIMD kernels...
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commitdiff
2013-04-12
Mark Abraham
Merge "corrected log file wall time breakdown" into...
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commitdiff
2013-04-12
Mark Abraham
Merge "made PME work with a mix of 1 and more threads...
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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
2013-03-29
Christoph Junghans
Merge "Added install guide section for BLAS/LAPACK...
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commitdiff
2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-03-19
Christoph Junghans
Merge "Essential dynamics: fixed legend in ED .xvg...
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commitdiff
2013-03-12
Mark Abraham
Merge "fix broken things in mkhtml" into release-4-6
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commitdiff
2013-03-11
Mark Abraham
Added install guide section for BLAS/LAPACK
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commitdiff
2013-03-11
Mark Abraham
Merge "Fixes linkage with FFTW + MKL for BLAS/LAPACK...
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commitdiff
2013-03-06
Roland Schulz
Merge "fixed PME time print with -ntomp_pme != -ntomp...
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commitdiff
2013-03-05
Mark Abraham
Update outdated admin things
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commitdiff
2013-03-05
Justin Lemkul
Fixes for install guide page.
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commitdiff
2013-03-05
Mark Abraham
Updated install guide
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commitdiff
2013-03-05
Mark Abraham
fix broken things in mkhtml
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commitdiff
2013-02-20
Mark Abraham
Merge release-4-5-patches into release-4-6
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commitdiff
2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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commitdiff
2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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commitdiff
2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into releas...
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commitdiff
2013-02-12
Mark Abraham
Merge "PME-only counters are now reset with -maxh ...
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commitdiff
2013-02-12
Mark Abraham
Merge "fixed bug with sd integrator and OpenMP threadin...
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commitdiff
2013-02-12
Mark Abraham
Merge "Fix CUDA_HOST_COMPILER flag name" into release-4-6
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commitdiff
2013-02-08
Roland Schulz
Fix CUDA_HOST_COMPILER flag name
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commitdiff
2013-02-08
Mark Abraham
Merge "cmake: fixed typo in template CMakeLists.txt...
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commitdiff
2013-01-25
Christoph Junghans
Merge "Moved a few comments back into position" into...
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commitdiff
2013-01-22
Mark Abraham
Merge "Re-licenced FindGROMACS.cmake (was written by...
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commitdiff
2013-01-22
Mark Abraham
Merge "Updated html manual to 4.6" into release-4-6
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commitdiff
2013-01-22
Mark Abraham
Merge "added missing cleanup of some nbnxn_cuda data...
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commitdiff
2013-01-22
Roland Schulz
Updated html manual to 4.6
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commitdiff
2013-01-18
Roland Schulz
Merge release-4-5-patches into release-4-6
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commitdiff
2013-01-18
Roland Schulz
Code beautification with uncrustify
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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
Gromacs install guide updates.
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commitdiff
2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performan...
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commitdiff
2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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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
BlueGene/Q installation notes
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commitdiff
2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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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
Finally move OpenMM to contrib
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commitdiff
2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
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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
2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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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
Merge "Move Windows shared/static options to later...
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commitdiff
2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
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commitdiff
2013-01-10
Erik Lindahl
Remove broken g_dih tool
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commitdiff
2012-12-10
Christoph Junghans
Merge "force C++ linking of the gpu_utils" into release-4-6
tree
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commitdiff
2012-12-09
Roland Schulz
Merge "Fix build of template and other external code...
tree
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commitdiff
2012-12-06
Mark Abraham
Updates for install guide
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commitdiff
2012-11-29
Mark Abraham
Update copyright statements and change license to LGPL
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commitdiff
2012-11-29
Mark Abraham
Merge "Initial commit of new install guide" into releas...
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commitdiff
2012-11-29
Mark Abraham
Initial commit of new install guide
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commitdiff
2012-11-28
Mark Abraham
Merge "Fix Window-GPU build" into release-4-6
tree
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commitdiff
2012-11-28
Christoph Junghans
Merge "Fix cpack src ignore rule" into release-4-6
tree
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commitdiff
2012-11-28
Roland Schulz
Merge "Remove CVS files" into release-4-6
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commitdiff
2012-11-27
Roland Schulz
Remove CVS files
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commitdiff
2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-11-20
Christoph Junghans
Merge "Fix g_msd -mol" into release-4-6
tree
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commitdiff
2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-11-17
David van der Spoel
Merge "Added grompp warning" into release-4-6
tree
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commitdiff
2012-11-17
David van der Spoel
Merge "Remove rest of the xml support" into release-4-6
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commitdiff
2012-11-16
Christoph Junghans
Remove rest of the xml support
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commitdiff
2012-11-06
Berk Hess
Merge "don't execute any mpi_info/mpiname in the path...
tree
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commitdiff
2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-11-02
Roland Schulz
Merge all License/COPYING files into one and install it
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commitdiff
2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
2012-07-16
Christoph Junghans
Merge "Removed commas from gmx_hbond OpenMP constructs...
tree
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commitdiff
2012-07-16
Christoph Junghans
Merge "Enforced rotation: PBC/restart fix" into release-4-6
tree
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commitdiff
2012-07-15
David van der Spoel
Merge "Autogenerate gromacs.7 from programs.txt" into...
tree
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commitdiff
2012-07-15
Roland Schulz
Adding missing entries in programs.txt
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commitdiff
2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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commitdiff
2012-07-10
Roland Schulz
Adding missing entries in programs.txt
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commitdiff
2012-07-05
Roland Schulz
Build man-pages instead of distributing them in the...
tree
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commitdiff
2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-05-07
Teemu Murtola
Merge branch 'gerrit/release-4-5-patches' into release-4-6
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-26
Berk Hess
Merge release-4-5-patches into release-4-6
tree
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commitdiff
2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patche...
tree
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commitdiff
2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
tree
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commitdiff
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