Avoid using function calls in OpenMP directives
[alexxy/gromacs.git] / src /
2014-09-30 Erik LindahlAvoid using function calls in OpenMP directives
2014-09-29 Berk HessDomain decomposition now checks the rlist buffer
2014-09-29 Berk HessSIMD acceleration for RB dihedrals
2014-09-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0
2014-09-29 Berk HessAvoid PME tuning decreasing rcoulomb
2014-09-29 Roland SchulzMerge release-4-6 into release-5-0
2014-09-29 Berk HessFix calc_grid avoiding PME grid factor 84
2014-09-26 Szilárd PállFix incorrect assertion statement
2014-09-23 David van der SpoelFixes potential bug in neighborsearching.
2014-09-22 Roland SchulzFix message about incorrect usage of dihedral type 9
2014-09-18 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-09-18 Roland SchulzFix double linkage for tests
2014-09-17 Roland SchulzFix shared libs for Mingw
2014-09-16 Roland SchulzFix warnings for ICC 15
2014-09-11 Erik LindahlEnable static anon namespace workaround on pathscale
2014-09-09 Szilárd PállFix malformed CUDA version macro check
2014-09-09 Berk HessFixed DD state collection issue
2014-09-08 Berk HessCheck for implicit solvent + Verlet scheme
2014-09-05 Roland SchulzFix build for external boost 1.56.0
2014-09-04 Erik LindahlK-computer specific modifications
2014-09-04 Christoph Junghanscmake: missing quote
2014-09-03 Roland SchulzFix MingW build
2014-09-03 Erik LindahlFixed sc_power==48 crash in single precision
2014-09-03 Mark AbrahamFix mis-use of fabs in LAPACK
2014-09-03 Roland SchulzFix that TNG tests were not run
2014-09-03 Erik LindahlFixed preprocessor error for AVX_128_FMA simd
2014-09-02 Erik LindahlFix formatting of fatal errors in g_bar
2014-09-02 Roland SchulzFix PRINT_ALLOC_KB output
2014-09-02 Magnus LundborgTNG Fix for GMX_DOUBLE builds and where ZLIB is not...
2014-09-02 Magnus LundborgFix data block length when uncompressing TNG data.
2014-09-01 Magnus LundborgTNG: Handle large files on 32 bit systems.
2014-09-01 Justin LemkulUpdated x-axis label for g_wham.
2014-09-01 Magnus LundborgWhen writing TNG include file closing in wallcycle.
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into...
2014-09-01 Mark AbrahamFixes and updates to BlueGene/Q support
2014-09-01 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-09-01 Mark AbrahamMerge "Merge branch release-4-6 into release-5-0" into...
2014-08-31 Erik LindahlAdded negative zero preprocessor constants
2014-08-30 David van der SpoelFixes issue with vsiten and verlet buffers.
2014-08-29 Mark AbrahamMerge branch release-4-6 into release-5-0
2014-08-28 Berk HessFixed two PME issues with MPI+OpenMP
2014-08-25 Berk HessFixed bugs in vsiteN with OpenMP
2014-08-24 Berk HessInitialize unused velocity constraint components
2014-08-22 Mark AbrahamFix zlib usage with TNG
2014-08-21 Magnus LundborgFixed TNG memory alignment problem and reset pointers.
2014-08-20 Erik LindahlAdd _GNU_SOURCE=1 to find clone() with PGI
2014-08-20 Roland SchulzChange error to warning for missing OMP_NUM_THREADS
2014-08-20 Erik LindahlFix matrix pointer dereference bug in update.c
2014-08-20 Erik LindahlEnable SIMD register calling convention with gmx_simdcall
2014-08-20 Erik LindahlAdd cycle counters for 64-bit ARM
2014-08-17 Erik LindahlFix Portland compiler warnings
2014-08-17 Berk HessHalved the cost of the pull communication
2014-08-17 Roland SchulzDon't build tests until they are run
2014-08-16 Mark AbrahamFix gmx tune_pme with LJ-PME
2014-08-16 Mark AbrahamFix wallcycle counting with md-vv, sd and sd2
2014-08-16 Teemu MurtolaDisable analysisdata generic tests if not compilable
2014-08-15 Carsten KutznerFixed output of eigenvalues in g_covar. Fixes #1575
2014-08-14 Berk HessCorrected SIMD math overflow documentation
2014-08-11 Stefan FleischmannAvoid stack overflow on Windows with CMake > 2.8.10.2
2014-08-10 Erik LindahlImprove Gromacs portability
2014-08-10 Erik LindahlReplace __LP64__ with check for pointer size
2014-08-10 Berk HessAdded checks for TPI + Verlet scheme
2014-08-10 Roland SchulzMerge release-4-6 into release-5-0
2014-08-07 Erik LindahlFix portability issue with ArrayRef initializer overloading
2014-08-07 Erik LindahlChanged names of test files to avoid Fujitsu compiler bug
2014-08-05 Berk HessFix hang with LJ-PME and empty domains
2014-08-05 Roland SchulzWorkaround for ICC 14
2014-08-04 Teemu MurtolaVerify MD5 sum for FFTW download
2014-08-02 Berk HessFixed PME bug with high OpenMP thread count
2014-08-01 Erik LindahlAdded tests for denormal and underflow for simd exp()
2014-07-31 Berk HessAvoid division by 0 in nbnxn_search
2014-07-28 Christian WennbergFix overflow in LJ-PME nbnxn kernels
2014-07-28 Roland SchulzAdd unit test for random/Threefry
2014-07-28 Roland SchulzRemove Random123/features
2014-07-27 Erik LindahlFix selection of xtc groups not starting at index 0
2014-07-25 Roland SchulzWorkaround for ICC 14 bug
2014-07-23 Roland SchulzAdd support for int64 in refdata
2014-07-22 Roland SchulzFix GMX_BUILD_OWN_FFTW for Cygwin
2014-07-21 Roland SchulzFix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS
2014-07-16 Teemu MurtolaFix HTML help and man pages for commands with dashes
2014-07-11 Teemu MurtolaFix HTML links that contain file extensions
2014-07-09 Roland SchulzFix Cygwin build
2014-07-08 Erik LindahlMake IEEE754 check more robust
2014-07-08 Teemu MurtolaMake selections ignore \r in input
2014-07-05 Magnus LundborgFix bug causing reading next frame not to stop.
2014-07-05 Magnus LundborgFix tng_num_frame_sets_get() with no frame sets.
2014-07-05 Teemu MurtolaReinstantiate unsorted index group check
2014-07-01 Teemu MurtolaAdjust include directory order for some corner cases
2014-07-01 Mark AbrahamFix GMock to work on MSVC
2014-06-29 Berk HessTake LJ-PME into account for table spacing
2014-06-29 Erik LindahlFixed free energy with LJ-PME
2014-06-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0
2014-06-29 Teemu MurtolaRemove some hardcoded selection string buffers
2014-06-29 Roland SchulzMerge release-4-6 into release-5-0
2014-06-29 Erik LindahlEnable rtp angle/dihedral entries not connected by...
2014-06-29 Michael ShirtsAllow printing potential energies to dhdl.xvg file
2014-06-29 David van der SpoelFixes #1532, SEGV in g_current.
2014-06-28 Mark AbrahamMerge branch 'release-4-6' into release-5-0
2014-06-28 Erik LindahlFixed CMAP generation for alanine dipeptide special...
2014-06-28 Magnus LundborgUpdate TNG build system
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