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Merge release-4-5-patches into release-4-6
2012-03-16
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-03-15
Roland Schulz
Fix most errors found by cppcheck
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2012-03-10
Roland Schulz
Activating more GCC warnings
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2012-03-04
Roland Schulz
Minimal support for Clang
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2012-02-23
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patches...
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2012-02-21
Roland Schulz
Use Git server (mirror) to avoid fetching problems
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2012-02-09
Szilard Pall
renamed GMX_THREADS to GMX_THREAD_MPI
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2012-02-08
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patches...
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2012-02-05
Roland Schulz
Fix ICC on Windows Build
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2012-02-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patches...
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2012-02-01
Mark Abraham
Fixed error message to identify the correct file
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2012-01-31
Roland Schulz
Append all ICC Performance flags only to Release Flags
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2012-01-31
Roland Schulz
Fix signed/unsigned warnings
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2012-01-19
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-01-18
Roland Schulz
New approach for GerritBuild script
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2012-01-13
Roland Schulz
Removing outdated vsite comment
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2011-12-26
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patches...
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2011-12-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-15
Roland Schulz
Using MinSizeRel configuration and Release target on...
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2011-12-15
Roland Schulz
Testing external BLAS/LAPACK
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2011-12-15
Roland Schulz
Using 2 cores per build on Windows
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2011-12-11
Roland Schulz
Merge release-4-5-patches into release-4-6
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2011-12-11
Roland Schulz
Set -DMPI only if compiled for FAH
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2011-12-11
Roland Schulz
Fixing MSVC unsigned/signed warnings
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2011-12-10
Roland Schulz
Run tests also on Windows
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2011-12-09
Roland Schulz
Only check those atoms for PBC which are part of selection...
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2011-12-03
Roland Schulz
Remove RETSIGTYPE. C89 defines return value to be void.
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2011-12-03
Roland Schulz
Adding support for Windows build and different CMake...
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2011-12-03
Roland Schulz
Adding support for Windows build and different CMake...
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2011-11-30
Roland Schulz
Adding Gerrit Build description
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2011-11-30
Roland Schulz
Adding Gerrit Build description
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2011-11-30
Roland Schulz
Removing TestBuildAll test
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2011-11-28
Roland Schulz
Fix FFTW API usage
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2011-11-27
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patches...
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2011-11-27
Roland Schulz
Removing TestBuildAll test
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2011-11-25
Roland Schulz
Cleaning up some bad coding practices
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2011-11-24
Roland Schulz
Initialize variables to make GCC 4.6 not complain
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2011-11-24
Mark Abraham
Only analyse angle transitions for dihedral angles
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2011-11-24
Mark Abraham
Added protective preprocessor directives
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2011-11-23
Roland Schulz
Added an option to easily compile contrib programs...
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2011-10-14
Roland Schulz
call to gmx_mtop_generate_local_top is only required...
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2011-10-11
Alexey Shvetsov
Updated grompp.mdp for tutor/water
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2011-10-11
Roland Schulz
Fixes MPI_GROUP_EMPTY for tMPI
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2011-10-05
Roland Schulz
Only create group if part of load communicator and...
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2011-08-10
Roland Schulz
Make sure that ftell works correctly for files opened...
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2011-05-15
Roland Schulz
corrected typo: if(errno=EINVAL)
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2011-02-04
Roland Schulz
using set_mm_ps to make pgi happy
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2010-11-08
Roland Schulz
making error message for vmdio clearer (bug 598)
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2010-11-04
Roland Schulz
print more information in case of lock error
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2010-10-13
Roland Schulz
make sure that the MANPATH is not set to only GMXMANPATH
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2010-10-11
Roland Schulz
fixed spelling
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2010-10-08
Roland Schulz
fixed locking of log file - broken by d750b9ce
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2010-10-07
Roland Schulz
added a comment about assumptions of aligned memory
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2010-10-04
Roland Schulz
fix broken check for dlopen (by Christoph Junghans...
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2010-10-01
Roland Schulz
fix FFTW3 interface for non aligned memory
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2010-09-30
Roland Schulz
made vmdio work with older api version (e.g. vmd 1...
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2010-09-27
Roland Schulz
include "error.h" was not neccessary and caused problems...
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2010-09-26
Roland Schulz
1) gmx_fio_seek was not returning correct return value...
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2010-09-23
Roland Schulz
vmdio read the box but didn't mark it as beeing read...
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2010-09-19
Roland Schulz
fixed box vector read in vmdio
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2010-08-26
Roland Schulz
Revert "Parenthesis around comparisons and no <= or...
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2010-08-27
Roland Schulz
fix logic to convert GMX_INTEGER_BIG_ENDIAN to ARCH_IS_BIG_E...
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2010-08-27
Roland Schulz
Parenthesis around comparisons and no <= or >= for xlc
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2010-08-17
Roland Schulz
Use always DIR_SEPARATOR
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2010-08-17
Roland Schulz
Fix two Windows futil bugs:
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2010-08-17
Roland Schulz
fixed spelling mistake introduced by 303d4543
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2010-08-06
Roland Schulz
Merge branch 'release-4-5-patches' of ssh://git.gromacs...
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2010-08-06
Roland Schulz
cleanup: GMX_CG_INNERLOOP isn't used anymore
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2010-08-01
Roland Schulz
include sys/types before regex for broken regex.h
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2010-08-01
Roland Schulz
fix spelling etc epc
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2010-08-01
Roland Schulz
added missing initialization
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2010-07-03
Roland Schulz
runtime is only available on PP master (simmaster)...
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2010-07-02
Roland Schulz
intializing structs (to avoid valgrind error messages)
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2010-07-02
Roland Schulz
Initialize FFT data. So that Valgrind doesn't complain
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2010-05-11
Roland Schulz
undo (accidential) change to FFTW_PATIENT
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2010-05-11
Roland Schulz
using standard GMX names for real/complex
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2010-05-10
Roland Schulz
fixed return for gmx_fft_many_1d*
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2010-05-10
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-05-10
Roland Schulz
ignore Eclipse project files
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2010-05-10
Roland Schulz
always define MPI_Comm, MPI_Request, MPI_Group to avoid...
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2010-04-06
Roland Schulz
use gmx_alloc_aligned for fft data
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2010-03-16
Roland Schulz
Compiles now in serial
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2010-03-16
Roland Schulz
+ Removed all FFTW dependencies of FFT5D
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2010-03-16
Roland Schulz
calling gmx_fft for 1D FFTs instead of directly calling...
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2010-03-15
Roland Schulz
directly call fftw for serial case
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2010-03-15
Roland Schulz
removed memcpy for both no-MPI and 1D decomposition
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2010-03-08
Roland Schulz
c++ fixes
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2010-03-08
Roland Schulz
checking whether dlopen is working with static library...
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2010-03-07
Roland Schulz
Merge branch 'master' of git@git.gromacs.org:gromacs
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2010-03-02
Roland Schulz
Merge branch 'release-4-0-patches'
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2010-02-25
Roland Schulz
error message for -fit rot+trans -pbc
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2010-02-25
Roland Schulz
error message for -fit rot+trans -pbc
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2010-02-08
Roland Schulz
fix to FLT_EPSILON
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2010-02-08
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2010-02-08
Roland Schulz
fixed C89 erros, FLT_EPSILON (thanks Peter)
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2010-01-18
Roland Schulz
corrected: opening binary file with rb+ instead of r+
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2010-01-17
Roland Schulz
small fix for using with fftw transpose
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2010-01-14
Roland Schulz
Merge branch '2dpme' of git@git.gromacs.org:gromacs...
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2010-01-14
Roland Schulz
updated comments
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2010-01-14
Roland Schulz
reduced communication and FFT to amount required
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