2012-11-28 |
Szilárd Páll | Merge changes I9b865c4c,Ib709290e into release-4-6 |
tree | commitdiff |
2012-11-28 |
Szilard Pall | enable GPU emulation without GPU support |
tree | commitdiff |
2012-11-28 |
Szilard Pall | use tMPI API for thread affinity setting |
tree | commitdiff |
2012-11-28 |
Sander Pronk | Fixed Windows tMPI_Thread_self(). |
tree | commitdiff |
2012-11-27 |
Michael Shirts | Removes memory allocation from free energy foreign... |
tree | commitdiff |
2012-11-27 |
Roland Schulz | Add visibility defines |
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2012-11-27 |
Erik Lindahl | Merge "Added affinity support check, visibility macros... |
tree | commitdiff |
2012-11-27 |
Erik Lindahl | Merge "fixed bug in nbnxn OpenMP non-bonded force reduc... |
tree | commitdiff |
2012-11-27 |
David van der Spoel | Merge "Merge release-4-5-patches into release-4-6"... |
tree | commitdiff |
2012-11-27 |
Berk Hess | fixed bug in nbnxn OpenMP non-bonded force reduction |
tree | commitdiff |
2012-11-27 |
Sander Pronk | Added affinity support check, visibility macros in... |
tree | commitdiff |
2012-11-26 |
Sander Pronk | Fixed issues with g_bar help text. |
tree | commitdiff |
2012-11-26 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-11-26 |
Roland Schulz | Merge "Clean up some mathematical constants" into relea... |
tree | commitdiff |
2012-11-26 |
Erik Lindahl | Merge "Use stat for gmx_is_file. Fix get_libdir with... |
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2012-11-26 |
Berk Hess | made nbnxn analytical Ewald consistent |
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2012-11-26 |
Mark Abraham | Clean up some mathematical constants |
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2012-11-26 |
Sander Pronk | Made the linear extrapolation in g_bar non-default... |
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2012-11-26 |
Erik Lindahl | Merge "Extended build information output and reference... |
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2012-11-26 |
David van der Spoel | Fixes #1035 NaN in g_cluster output. |
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2012-11-26 |
Berk Hess | added nbnxn analytical Ewald correction kernels |
tree | commitdiff |
2012-11-25 |
Teemu Murtola | Extended build information output and reference build... |
tree | commitdiff |
2012-11-24 |
Roland Schulz | Use stat for gmx_is_file. Fix get_libdir with symlinks. |
tree | commitdiff |
2012-11-23 |
Roland Schulz | Merge "removed group non-boneded call with verlet schem... |
tree | commitdiff |
2012-11-23 |
Roland Schulz | Merge "improve FindGROMACS.cmake" into release-4-6 |
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2012-11-23 |
Roland Schulz | Force C++ linking of the gpu_utils |
tree | commitdiff |
2012-11-23 |
Szilárd Páll | Merge "Updates to CMake treatment of OpenMP" into relea... |
tree | commitdiff |
2012-11-23 |
Szilard Pall | removed group non-boneded call with verlet scheme |
tree | commitdiff |
2012-11-23 |
Roland Schulz | Merge changes I88f0dcef,I86b2a8cf,I70fb7e6d into releas... |
tree | commitdiff |
2012-11-22 |
Erik Lindahl | Fix for icc 13 optimization-related issue and TIP4P... |
tree | commitdiff |
2012-11-22 |
Erik Lindahl | Implemented RMS-based force tolerance in gmxcheck |
tree | commitdiff |
2012-11-22 |
Erik Lindahl | Fixed LJ-14 error in free energy |
tree | commitdiff |
2012-11-22 |
Mark Abraham | Speed up mdlib compilation by reordering file globs |
tree | commitdiff |
2012-11-20 |
Christoph Junghans | Merge "Fix g_msd -mol" into release-4-6 |
tree | commitdiff |
2012-11-20 |
Christoph Junghans | Merge "Fixes bug in g_hbond that makes it produce fatal... |
tree | commitdiff |
2012-11-20 |
David van der Spoel | Fixes bug in g_hbond that makes it produce fatal error. |
tree | commitdiff |
2012-11-20 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-11-19 |
Roland Schulz | Merge changes Ibc555d88,Iaf6f3051 into release-4-6 |
tree | commitdiff |
2012-11-19 |
Mark Abraham | Merge "SSE4.1 single-precision kernels" into release-4-6 |
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2012-11-19 |
Erik Lindahl | SSE4.1 single-precision kernels |
tree | commitdiff |
2012-11-19 |
Roland Schulz | Merge "Remove double declaration in headers" into relea... |
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2012-11-17 |
Roland Schulz | Remove double declaration in headers |
tree | commitdiff |
2012-11-17 |
David van der Spoel | Merge "Added grompp warning" into release-4-6 |
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2012-11-17 |
David van der Spoel | Merge "Remove rest of the xml support" into release-4-6 |
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2012-11-17 |
Roland Schulz | Merge "Removing Zn and Ar non-OPLS atom types" into... |
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2012-11-16 |
Mark Abraham | Added grompp warning |
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2012-11-16 |
Christoph Junghans | Remove rest of the xml support |
tree | commitdiff |
2012-11-16 |
David van der Spoel | Merge "Removes unused files" into release-4-6 |
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2012-11-16 |
Erik Lindahl | SSE2 single-precision kernels |
tree | commitdiff |
2012-11-16 |
Roland Schulz | Removes unused files |
tree | commitdiff |
2012-11-16 |
Berk Hess | reduced the cost of the nbnxn OpenMP nb-force reduction |
tree | commitdiff |
2012-11-15 |
Christoph Junghans | Merge "Test that compiling and linking of AVX works... |
tree | commitdiff |
2012-11-15 |
Berk Hess | fixed incorrect 1-4 energies with OpenMP + energy groups |
tree | commitdiff |
2012-11-14 |
Berk Hess | fixed nbnxn x86 SIMD non-bonded performance regression |
tree | commitdiff |
2012-11-13 |
Erik Lindahl | Removed some unnecessary instructions, and fixed a... |
tree | commitdiff |
2012-11-12 |
Roland Schulz | Merge "Backport ThreadMPI.cmake version from master... |
tree | commitdiff |
2012-11-12 |
Roland Schulz | Merge "nbnxn CPU force buffer reduction now uses SIMD... |
tree | commitdiff |
2012-11-12 |
Berk Hess | nbnxn CPU force buffer reduction now uses SIMD |
tree | commitdiff |
2012-11-12 |
David van der Spoel | Fixes #1020 options in g_enemat |
tree | commitdiff |
2012-11-11 |
Roland Schulz | Fix FMA4 compile for GCC and MSVC |
tree | commitdiff |
2012-11-10 |
Roland Schulz | Merge "Fix broken manual formatting" into release-4-6 |
tree | commitdiff |
2012-11-10 |
Roland Schulz | Fix g_msd -mol |
tree | commitdiff |
2012-11-10 |
Teemu Murtola | Remove obsolete GMX_THREAD_SHM_FDECOMP. |
tree | commitdiff |
2012-11-09 |
Roland Schulz | Fix component for libcudart |
tree | commitdiff |
2012-11-09 |
Erik Lindahl | Removed old (now unused) bluegene kernels. |
tree | commitdiff |
2012-11-09 |
Erik Lindahl | Removed unused old kernel generator |
tree | commitdiff |
2012-11-09 |
Erik Lindahl | Removal of stale Fortran/Power6 kernels |
tree | commitdiff |
2012-11-09 |
Erik Lindahl | Removal of stale Fortran kernels |
tree | commitdiff |
2012-11-09 |
Kasson | Merge "only use CPU_COUNT if it's available" into relea... |
tree | commitdiff |
2012-11-09 |
Szilard Pall | only use CPU_COUNT if it's available |
tree | commitdiff |
2012-11-08 |
Roland Schulz | Merge "Fixed bug in the new switch-modified interaction... |
tree | commitdiff |
2012-11-08 |
Christoph Junghans | Merge "auto-set nvcc host compiler with FindMPI detecti... |
tree | commitdiff |
2012-11-08 |
Christoph Junghans | Merge "Relocated logic of simple-vs-GPU Ewald table... |
tree | commitdiff |
2012-11-08 |
Erik Lindahl | Fixed bug in the new switch-modified interactions in... |
tree | commitdiff |
2012-11-08 |
Erik Lindahl | Allow rcoulomb=rlistlong for PME with nstcalclr=1 |
tree | commitdiff |
2012-11-08 |
Mark Abraham | Relocated logic of simple-vs-GPU Ewald table generation |
tree | commitdiff |
2012-11-08 |
Erik Lindahl | Infrastructure for new group kernels, and new C kernels |
tree | commitdiff |
2012-11-07 |
Christoph Junghans | Obey DSO standard |
tree | commitdiff |
2012-11-07 |
Szilard Pall | detect externally set CPU affinity |
tree | commitdiff |
2012-11-06 |
Roland Schulz | Merge "Clarification of mdp_opt, add nstexpand defaults... |
tree | commitdiff |
2012-11-06 |
Berk Hess | Merge "Add option to install libcudart" into release-4-6 |
tree | commitdiff |
2012-11-06 |
Michael Shirts | Clarification of mdp_opt, add nstexpand defaults &... |
tree | commitdiff |
2012-11-06 |
Berk Hess | Merge "don't execute any mpi_info/mpiname in the path... |
tree | commitdiff |
2012-11-06 |
Carsten Kutzner | Made g_tune_pme work correctly when ir->init_step > 0 |
tree | commitdiff |
2012-11-05 |
Berk Hess | Merge "updated several things related with OpenMP threa... |
tree | commitdiff |
2012-11-05 |
Roland Schulz | Add option to install libcudart |
tree | commitdiff |
2012-11-05 |
Berk Hess | updated several things related with OpenMP thread count |
tree | commitdiff |
2012-11-03 |
Roland Schulz | Merge release-4-5-patches into release-4-6 |
tree | commitdiff |
2012-10-31 |
Szilard Pall | fix internal/external OpenMP thread affinity clash |
tree | commitdiff |
2012-10-27 |
Christoph Junghans | Merge "Fix large file support" into release-4-5-patches |
tree | commitdiff |
2012-10-26 |
Roland Schulz | Fix usage of CMAKE_REQUIRED_* |
tree | commitdiff |
2012-10-26 |
Roland Schulz | Merge "fixed incorrect PME load balancing limitation... |
tree | commitdiff |
2012-10-26 |
Christoph Junghans | Merge "enable GMX_PREFER_STATIC_LIBS CMake option on... |
tree | commitdiff |
2012-10-26 |
Christoph Junghans | Merge "fix false positive gcc 4.7 warning in libxdrf... |
tree | commitdiff |
2012-10-26 |
David van der Spoel | Merge "Fixed Pulp Fiction quote" into release-4-5-patches |
tree | commitdiff |
2012-10-26 |
Berk Hess | fixed incorrect PME load balancing limitation |
tree | commitdiff |
2012-10-26 |
Roland Schulz | Merge "set the default for nstdhdl to 100" into release-4-6 |
tree | commitdiff |
2012-10-26 |
Berk Hess | set the default for nstdhdl to 100 |
tree | commitdiff |
2012-10-26 |
Berk Hess | fixed incorrect group energies with nbnxn CPU kernels |
tree | commitdiff |
2012-10-25 |
Roland Schulz | Merge "fix CUDA non-bonded kernel pointer assignment... |
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