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force C++ linking of the gpu_utils
2012-11-30
Szilard Pall
force C++ linking of the gpu_utils
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2012-11-28
Roland Schulz
Fix: pthread variables were overwritten by gmxManageGPU
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2012-11-28
Roland Schulz
Fix CPACK_SOURCE_IGNORE_FILES
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2012-11-28
Roland Schulz
Print error if no thread support is available
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2012-11-27
Roland Schulz
Fix Window-GPU build
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2012-11-27
Roland Schulz
Remove CVS files
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2012-11-27
Erik Lindahl
Nonbonded group kernels for 256-bit AVX (Intel CPUs)
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2012-11-27
Sander Pronk
Added affinity support check, visibility macros in...
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2012-11-26
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-24
Roland Schulz
Use stat for gmx_is_file. Fix get_libdir with symlinks.
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2012-11-20
Roland Schulz
Fix CXX/C mismatch of flag/macro for gmxCFlags
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2012-11-20
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-11-20
Roland Schulz
Fix CXX/C mismatch of flag/macro for gmxCFlags
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2012-11-16
Roland Schulz
Removing Zn and Ar non-OPLS atom types
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2012-11-16
Roland Schulz
Removes unused files
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2012-11-14
Roland Schulz
FindFFTW: Keep checking pkg_config until fftw is found
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2012-11-12
Roland Schulz
Test that compiling and linking of AVX works
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2012-11-11
Roland Schulz
Fix FMA4 compile for GCC and MSVC
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2012-11-10
Roland Schulz
Fix g_msd -mol
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2012-11-09
Roland Schulz
Fix component for libcudart
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2012-11-05
Roland Schulz
Add option to install libcudart
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2012-11-03
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-10-27
Roland Schulz
Set HAVE_FSEEKO consistently in one place
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2012-10-23
Roland Schulz
Replace sprintf with snprintf to make safe
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2012-10-19
Roland Schulz
Fix large file support
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2012-10-17
Roland Schulz
Fixed Pulp Fiction quote
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2012-10-12
Roland Schulz
Fix illegal barrier in worksharing
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2012-10-10
Roland Schulz
Make Gromacs compile without C++ compiler
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2012-10-06
Roland Schulz
Fix incorrect free
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2012-10-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-09-30
Roland Schulz
Fix problems found by cppcheck 1.56
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2012-09-13
Roland Schulz
Backport of md-vv rerun check from c7a82654f2eb8992
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2012-09-12
Roland Schulz
Set valid build information if gmx_detectcpu fails
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2012-09-06
Roland Schulz
Fix illegal call to MPI without being initialized
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2012-09-06
Roland Schulz
Don't fail linking if man page building fails
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2012-09-05
Roland Schulz
Check that gmx_detectcpu runs correctly
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2012-09-03
Roland Schulz
Fix VMD plugins on Windows
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2012-09-02
Roland Schulz
Fix stack error in grompp
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2012-08-30
Roland Schulz
Fixes too many backup files for *.nroff files
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2012-08-16
Roland Schulz
Fix coordinate is zero check in gmxcheck
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2012-08-05
Roland Schulz
Remove share/tutor
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2012-08-03
Roland Schulz
Fix overlapping memcpy
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2012-08-01
Roland Schulz
Fix use after free memory error with adress
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2012-07-29
Roland Schulz
Fix Segfaults in Genion
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2012-07-24
Roland Schulz
Fix installation rules for man pages: don't install...
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2012-07-24
Roland Schulz
Add default root folder to cpack archives
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2012-07-13
Roland Schulz
Merge release-4.5-patches into HEAD
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2012-07-10
Roland Schulz
Adding missing entries in programs.txt
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2012-07-10
Roland Schulz
Use relative rpath to support relocatable binary packages
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2012-07-10
Roland Schulz
Allow usage of relative install paths
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2012-07-07
Roland Schulz
Autogenerate gromacs.7 from programs.txt
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2012-07-05
Roland Schulz
Don't rerun checks and be quiet 2nd time cmake is run
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2012-06-28
Roland Schulz
Allow also FindMPI for cmake<2.8.5
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2012-06-28
Roland Schulz
Fix MPI build for MPI library without mpi wrapper
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2012-06-26
Roland Schulz
Fix that rerunning cmake gives the same result as 1st run
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2012-06-24
Roland Schulz
Fix mdp_opt formatting of expanded ensemble
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2012-06-24
Roland Schulz
Remove MPI define for FAH
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2012-06-01
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-06-01
Roland Schulz
Replace our fftpack version with Numpy's version
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2012-05-27
Roland Schulz
Fix editconf real-bool misusage
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2012-05-27
Roland Schulz
Fix Clang 3.1 warning
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2012-05-23
Roland Schulz
Fix that sigaction mask wasn't zeroed
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2012-05-23
Roland Schulz
Code cleanup to avoid name collisions
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2012-05-22
Roland Schulz
Use External BLAS/LAPACK by default
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2012-05-18
Roland Schulz
Rename BOOL to EBOOL
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2012-05-16
Roland Schulz
Fixing more clang warnings
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2012-05-08
Roland Schulz
Fixing more Clang warnings
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2012-05-01
Roland Schulz
Fix Windows specific cmake hacks
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2012-04-30
Roland Schulz
Fix gmxdump error introduced by 553d4b1369
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2012-04-29
Roland Schulz
Disable OpenMP for llvm-gcc 4.2.x
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-29
Roland Schulz
Don't enable ASM if no asm kernel is selected
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2012-04-29
Roland Schulz
Merge release-4-5-patches into release-4-6
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2012-04-28
Berk Hess
fixed PME forces with FE, fixes #929 introduced in...
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2012-04-28
Roland Schulz
Fix srenew/sfree_aligned misuse in PME
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2012-04-27
Roland Schulz
Remove checks based on Generator
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2012-04-27
Roland Schulz
Fix for sigaction
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2012-04-22
Roland Schulz
Resolving a couple of clang analyzer warnings
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2012-04-16
Roland Schulz
Restart IO operations when interrupter by signal
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2012-04-11
Roland Schulz
Fix that directory is not mistaken for binary
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2012-04-06
Roland Schulz
Fix domain decomposition setup for >46k cores
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2012-04-03
Roland Schulz
Merge remote-tracking branch 'gerrit/release-4-5-patches...
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2012-03-27
Roland Schulz
Resolving clang analyzer warnings in analysis
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2012-03-26
Roland Schulz
Warn when a value is unused
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2012-03-21
Roland Schulz
Removing unused code
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2012-03-16
Berk Hess
fixed incorrect table allocation
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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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2012-03-10
Roland Schulz
Fix typo in Clang CFlags
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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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