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fix nbnxn atom sorting with distant bondeds
[alexxy/gromacs.git]
/
CMakeLists.txt
2013-10-18
Mark Abraham
BlueGene/Q Verlet cut-off scheme kernels
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2013-09-02
Magnus Lundborg
Set upper case of FFTW variable at the right place.
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2013-08-25
Mark Abraham
Fixes for Bluegene/Q
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2013-08-09
Mark Abraham
Reordered FFTW fatal error; avoids using unset variables
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2013-07-30
Christoph Junghans
cmake: Improve some error messages
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2013-07-25
Mark Abraham
Find mkl.h on more icc versions
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2013-07-25
Mark Abraham
Update management of linear algebra libraries
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2013-07-05
Mark Abraham
Bump version after 4.6.3 release
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2013-06-25
Szilard Pall
added CUDA compiler flags to version header
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2013-06-16
Jeff Hammond
fix CMake bug related to TestQPX.c location
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2013-06-16
Jeff Hammond
fixed a typo (unclosed bracket) that cause CMake to...
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2013-06-07
Peter Kasson
Fixes syntax for FAHCORE in CMakeLists.txt.
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2013-06-04
Teemu Murtola
Split cmake thread detection into core thread and threa...
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2013-05-30
Mark Abraham
New patch release 4.6.2
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2013-05-30
Szilard Pall
add workaround for clang on AMD with FMA
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2013-05-25
Mark Abraham
Make FFT detection quieter when nothing is changing
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2013-05-21
Erik Lindahl
Fujitsu Sparc64 acceleration and general fixes for...
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2013-05-21
Sander Pronk
New version of thread_mpi with many minor enhancements
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2013-05-15
Christoph Junghans
Merge "fixed incorrect scaling of cos-acceleration...
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2013-05-10
Sander Pronk
Merge "Fixing handling of perturbation mass changes...
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2013-05-10
Mark Abraham
Merge "Fixes "Function type U-B not implemented in...
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2013-05-10
Mark Abraham
Merge "improve build with OpenMM, still not 100% fixed...
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2013-05-10
Christoph Junghans
improve build with OpenMM, still not 100% fixed
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2013-04-29
Mark Abraham
Merge "Update linking to MKL and document same" into...
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2013-04-26
Mark Abraham
Update linking to MKL and document same
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2013-04-19
Teemu Murtola
Merge branch 'release-4-5-patches'
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2013-04-13
David van der Spoel
Merge "added mdrun check for Verlet+perturbed atoms...
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2013-03-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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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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2013-03-06
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 regressiontests automated download
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2013-03-05
Mark Abraham
Warn if X11 was not found and the user wanted it
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2013-02-20
Christoph Junghans
Bump shared object version to 8
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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
Roland Schulz
Issue errors/warnings for ICC before 12.0.0
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2013-02-15
Mark Abraham
Bump shared object version to 7
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2013-02-15
Mark Abraham
Merge "Unwinds flag dependencies in g_order." into...
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2013-02-15
Mark Abraham
Merge "use legacy CUDA non-bonded kernels only on Fermi...
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2013-02-13
Roland Schulz
Merge "improve setup of multiple tf tables" into releas...
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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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2013-02-08
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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2013-02-05
Christoph Junghans
Merge "Documented what GMX_CPU_ACCELERATION really...
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2013-02-05
Mark Abraham
Documented what GMX_CPU_ACCELERATION really means
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2013-01-25
Christoph Junghans
Merge "Moved a few comments back into position" into...
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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 "added missing cleanup of some nbnxn_cuda data...
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2013-01-22
Roland Schulz
Fix TOUPPER usage
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2013-01-21
Christoph Junghans
Merge "Set version info for 4.6.x release series" into...
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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
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-18
Mark Abraham
Fixing copyright issues and code contributors
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2013-01-18
Erik Lindahl
Merge "remove unnecessary cmake messages" into release-4-6
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2013-01-18
Erik Lindahl
Merge "fix OpenMP detection on Mac OS broken by a6fee0b...
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2013-01-18
Szilárd Páll
fix OpenMP detection on Mac OS broken by a6fee0b
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2013-01-17
Mark Abraham
Merge "Remove unnecessary ICC flags affecting performan...
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2013-01-17
Mark Abraham
Merge "improved CUDA kernel performance by pre-loading...
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2013-01-17
Christoph Junghans
Merge "Added note about make_edi and flooding in ED...
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2013-01-17
Christoph Junghans
Merge "use the compiler version provided by CMake ...
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2013-01-17
Szilárd Páll
Merge changes I930b316c,Iea4283e0,I103648f8 into releas...
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2013-01-17
Mark Abraham
Merge branch 'release-4-5-patches' into release-4-6
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2013-01-17
Roland Schulz
Merge "clarify wording of GPU driver-related notes...
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2013-01-17
Roland Schulz
Run regressiontests from build
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2013-01-17
Mark Abraham
Finally move OpenMM to contrib
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2013-01-16
Christoph Junghans
Remove debug statment
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2013-01-15
Roland Schulz
Fix missing replacement/typo
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2013-01-15
Mark Abraham
Merge "Hid nbnxn kernel names behind a lookup function...
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2013-01-15
Christoph Junghans
Merge "disable OpenMP with all OS X gcc 4.2-based compi...
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2013-01-15
Sander Pronk
Merge "Continuation of documentation for expanded ensem...
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2013-01-15
Szilárd Páll
disable OpenMP with all OS X gcc 4.2-based compilers
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2013-01-13
Christoph Junghans
Merge "Remove unused bfunc.h." into release-4-6
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2013-01-13
Christoph Junghans
Merge "Clarified some comments & warnings about thread...
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2013-01-13
Christoph Junghans
Merge "Manage BlueGene/Q configuration" into release-4-6
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2013-01-13
Christoph Junghans
Merge "Changed defaults for building shared libraries...
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2013-01-13
Mark Abraham
Manage BlueGene/Q configuration
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diff to current
2013-01-13
Mark Abraham
Changed defaults for building shared libraries
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2013-01-11
Christoph Junghans
Merge "Fix CUDA being quiet and mark all CUDA_* as...
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2013-01-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2013-01-11
Erik Lindahl
Merge "fixed nbnxn no LJ comb.rule AVX256 PME kernel...
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2013-01-11
Roland Schulz
Merge "Handle compiler flags more flexibly" into releas...
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2013-01-10
Mark Abraham
Merge "Revert default rlist/rvdw/rcoulomb to valid...
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2013-01-10
Mark Abraham
Merge "fixed bug with Verlet + DD + bonded atom communi...
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diff to current
2013-01-10
Roland Schulz
Handle compiler flags more flexibly
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diff to current
2013-01-10
Erik Lindahl
Disallow the use of Clang to compile AVX_128_FMA
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diff to current
2013-01-10
Roland Schulz
Merge "Move Windows shared/static options to later...
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2013-01-10
Roland Schulz
Merge "Remove workaround" into release-4-6
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2013-01-10
Roland Schulz
Move Windows shared/static options to later point
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2013-01-10
Roland Schulz
Remove workaround
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2013-01-10
Mark Abraham
Merge "Fixes SSE/AVX compilation under Windows" into...
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2013-01-10
Erik Lindahl
Fixes SSE/AVX compilation under Windows
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