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auto-set nvcc host compiler with FindMPI detection
2012-11-07
Szilard Pall
auto-set nvcc host compiler with FindMPI detection
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2012-11-02
Szilard Pall
don't execute any mpi_info/mpiname in the path
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2012-10-31
Szilard Pall
fix internal/external OpenMP thread affinity clash
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2012-10-22
Szilard Pall
fix CUDA non-bonded kernel pointer assignment
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2012-10-02
Szilard Pall
added Verlet scheme and NxN non-bonded functionality
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2012-09-03
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-06-27
Szilard Pall
fixes typo gmx_omp introduced by 697bcdc
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2012-06-25
Szilard Pall
introduce gmx_omp wrapper for the OpenMP API
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2012-05-22
Szilard Pall
added explicit sqrtf to the float version of norm
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2012-05-02
Szilard Pall
removed -finline-functions from the release gcc flags
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2012-04-26
Szilard Pall
Corrected fourierspacing description
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2012-04-19
Szilard Pall
compiler flag fixes
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2012-04-18
Szilard Pall
added missing #ifdef around #include "thread_mpi.h"
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2012-04-15
Szilard Pall
enable command line option cheking in mdrun
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2012-03-28
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-03-14
Szilard Pall
fixed appending OpenMP compiler option to flag list
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2012-02-29
Szilard Pall
Merge branch 'release-4-5-patches' into release-4-6
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2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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2012-02-02
Szilard Pall
fixed confusing nonbonded kernel pointer initialization
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2012-01-17
Szilard Pall
Fixed timing measurements.
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2011-04-08
Szilard Pall
fixed g_tune_pme to pass correctly boolean arguments...
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2011-02-23
Szilard Pall
added cmake warning when the cache generated on another...
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2011-02-11
Szilard Pall
fixed buggy detection of hostname and time of build...
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2010-11-08
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-11-05
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-11-03
Szilard Pall
now it's possible to run binaries in the build tree...
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2010-10-29
Szilard Pall
Merge branch 'release-4-5-patches' of git.gromacs.org...
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2010-10-29
Szilard Pall
enabled GMX_PREFER_STATIC_LIBS CMake option for CYGWIN
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2010-10-29
Szilard Pall
fixed the default for OpenMM plugin dir location (bug...
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2010-10-29
Szilard Pall
fixed make install-mdrun issue (bug #605)
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2010-10-29
Szilard Pall
(re)added "-dev" suffix for the CMake hardcoded version...
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2010-10-29
Szilard Pall
added CMake option GMX_PREFER_STATIC_LIBS (also fixes...
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2010-10-06
Szilard Pall
fixed syntax error from commit bd5b2724
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2010-10-05
Szilard Pall
improved option compatibility checking with OpenMM
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2010-10-01
Szilard Pall
make install-mdrun now installes shared libs (fix for...
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2010-09-20
Szilard Pall
FindFFT?[F] scripts can use a path provided in FFTWx...
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2010-09-08
Szilard Pall
Fixed binary/lib suffixing inconsistencies (bug 539)
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2010-09-07
Szilard Pall
fixed warnings caused by some uninitialized variables
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2010-09-06
Szilard Pall
Mark advanced variables/options that are not relevant...
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2010-09-06
Szilard Pall
Mark advanced GMX_BINARY_SUFFIX and GMX_LIBS_SUFFIX...
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2010-09-01
Szilard Pall
Updated list of supported GPUs
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2010-08-31
Szilard Pall
Merge branch 'release-4-5-patches' of git://git.gromacs...
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2010-08-31
Szilard Pall
Improved option disabling on switching to OpenMM build...
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2010-08-31
Szilard Pall
fixed/improved cmake FFTW3 detection
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2010-08-03
Szilard Pall
minor addition to previus gcc 4.1.x disabling commit
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2010-08-03
Szilard Pall
Removed gcc 4.1.x check as bug 431 turned out to be...
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2010-06-24
Szilard Pall
additional fix to commit c5d62af07d01b8, now libmd...
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2010-06-24
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-24
Szilard Pall
cmake support for user-defined binary prefixes, custom...
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2010-06-20
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-20
Szilard Pall
Fixed GCC version checking in cmake
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2010-06-17
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-17
Szilard Pall
fixed minor bug in openmm_wrapper.cpp
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2010-06-17
Szilard Pall
Implemented (buggy) gcc 4.1.x check in cmake.
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2010-06-10
Szilard Pall
fixed warnings in gmx_gpu_utils and openmm_wrapper
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2010-06-10
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-10
Szilard Pall
fixed logging output in do_md_openmm
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2010-06-03
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-01
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-06-01
Szilard Pall
fixed OpenMM interaction type check
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2010-05-31
Szilard Pall
minor fixes in ditribution files
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2010-05-31
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-31
Szilard Pall
Updated README and INSTALL files, added README-GPU...
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2010-05-31
Szilard Pall
Fixed typo in CMakeLists for mdrun-gpu
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2010-05-30
Szilard Pall
OpenMM: added combination rule check, disabled restraint...
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2010-05-30
Szilard Pall
Fix for MSVC linking and release-build OpenMM plugin...
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2010-05-26
Szilard Pall
Fixed some compiler warinigs, minor bugs and documentation...
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2010-05-19
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-19
Szilard Pall
fixed the PME tolerance "adjustment" for OpenMM
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2010-05-12
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-12
Szilard Pall
Fix in openmm_wrapper which makes it work with MSVC.
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2010-05-12
Szilard Pall
fixed signal handling in md_openmm
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2010-05-12
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-12
Szilard Pall
minor fixes in documentation + some debugging code...
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2010-05-12
Szilard Pall
added os-specific defines from cmake required by memtestG80
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2010-05-10
Szilard Pall
MSVC fix for gmx_parallel_3dfft.c
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2010-05-10
Szilard Pall
only issue openmm constrints warning if constrainsta...
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
temporary fix for compilation error with GMX_OPENMM=ON
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-07
Szilard Pall
added gromacs file headers to the OpenMM-related files
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2010-05-07
Szilard Pall
minor fixes, documentation and slight API change in...
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2010-05-07
Szilard Pall
minor updates to FindGit and FindOpenMM
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2010-05-07
Szilard Pall
updated FindCUDA to version from cmake 2.8.1 for CUDA...
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2010-04-20
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-20
Szilard Pall
doxygen comments for the OpenMM part
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2010-04-16
Szilard Pall
added documentation for the openmm_wrapper
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2010-04-16
Szilard Pall
formatting fix of openmm wrapper - gromacsified the...
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2010-04-13
Szilard Pall
cleaned up a bunch op mess in do_md_openmm
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2010-04-13
Szilard Pall
bugfix for do_md_openmm - was always pulling data from...
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2010-04-13
Szilard Pall
fixed timing bug in do_md_openmm
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2010-04-13
Szilard Pall
added some more supported GPUs (high-end mobile and...
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2010-04-06
Szilard Pall
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-04-06
Szilard Pall
now g_bar looks for lambda only in the last directory...
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2010-04-04
Szilard Pall
Fixed g_bar bug in lambda value parsing from path.
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2010-03-29
Szilard Pall
fixed gmxGenerateVersionInfo.cmake to produce 8 digit...
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2010-03-28
Szilard Pall
The cmake development information generating works...
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2010-03-28
Szilard Pall
added FindGit.cmake script
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2010-03-28
Szilard Pall
fix for gmxGenerateVersionInfo.cmake, now works with...
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