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Change error to warning for missing OMP_NUM_THREADS
[alexxy/gromacs.git] / src /
2014-08-20 Roland SchulzChange error to warning for missing OMP_NUM_THREADS tree | commitdiff
2014-08-20 Erik LindahlFix matrix pointer dereference bug in update.c tree | commitdiff
2014-08-20 Erik LindahlEnable SIMD register calling convention with gmx_simdcall tree | commitdiff
2014-08-20 Erik LindahlAdd cycle counters for 64-bit ARM tree | commitdiff
2014-08-17 Erik LindahlFix Portland compiler warnings tree | commitdiff
2014-08-17 Berk HessHalved the cost of the pull communication tree | commitdiff
2014-08-17 Roland SchulzDon't build tests until they are run tree | commitdiff
2014-08-16 Mark AbrahamFix gmx tune_pme with LJ-PME tree | commitdiff
2014-08-16 Mark AbrahamFix wallcycle counting with md-vv, sd and sd2 tree | commitdiff
2014-08-16 Teemu MurtolaDisable analysisdata generic tests if not compilable tree | commitdiff
2014-08-14 Berk HessCorrected SIMD math overflow documentation tree | commitdiff
2014-08-10 Erik LindahlImprove Gromacs portability tree | commitdiff
2014-08-10 Erik LindahlReplace __LP64__ with check for pointer size tree | commitdiff
2014-08-10 Berk HessAdded checks for TPI + Verlet scheme tree | commitdiff
2014-08-10 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-08-07 Erik LindahlFix portability issue with ArrayRef initializer overloading tree | commitdiff
2014-08-07 Erik LindahlChanged names of test files to avoid Fujitsu compiler bug tree | commitdiff
2014-08-05 Berk HessFix hang with LJ-PME and empty domains tree | commitdiff
2014-08-05 Roland SchulzWorkaround for ICC 14 tree | commitdiff
2014-08-04 Teemu MurtolaVerify MD5 sum for FFTW download tree | commitdiff
2014-08-02 Berk HessFixed PME bug with high OpenMP thread count tree | commitdiff
2014-08-01 Erik LindahlAdded tests for denormal and underflow for simd exp() tree | commitdiff
2014-07-31 Berk HessAvoid division by 0 in nbnxn_search tree | commitdiff
2014-07-28 Christian WennbergFix overflow in LJ-PME nbnxn kernels tree | commitdiff
2014-07-28 Roland SchulzAdd unit test for random/Threefry tree | commitdiff
2014-07-28 Roland SchulzRemove Random123/features tree | commitdiff
2014-07-27 Erik LindahlFix selection of xtc groups not starting at index 0 tree | commitdiff
2014-07-25 Roland SchulzWorkaround for ICC 14 bug tree | commitdiff
2014-07-23 Roland SchulzAdd support for int64 in refdata tree | commitdiff
2014-07-22 Roland SchulzFix GMX_BUILD_OWN_FFTW for Cygwin tree | commitdiff
2014-07-21 Roland SchulzFix GMX_NONBONDED_NUM_THREADS!=GMX_PAIRSEARCH_NUM_THREADS tree | commitdiff
2014-07-16 Teemu MurtolaFix HTML help and man pages for commands with dashes tree | commitdiff
2014-07-11 Teemu MurtolaFix HTML links that contain file extensions tree | commitdiff
2014-07-09 Roland SchulzFix Cygwin build tree | commitdiff
2014-07-08 Erik LindahlMake IEEE754 check more robust tree | commitdiff
2014-07-08 Teemu MurtolaMake selections ignore \r in input tree | commitdiff
2014-07-05 Magnus LundborgFix bug causing reading next frame not to stop. tree | commitdiff
2014-07-05 Magnus LundborgFix tng_num_frame_sets_get() with no frame sets. tree | commitdiff
2014-07-05 Teemu MurtolaReinstantiate unsorted index group check tree | commitdiff
2014-07-01 Teemu MurtolaAdjust include directory order for some corner cases tree | commitdiff
2014-07-01 Mark AbrahamFix GMock to work on MSVC tree | commitdiff
2014-06-29 Berk HessTake LJ-PME into account for table spacing tree | commitdiff
2014-06-29 Erik LindahlFixed free energy with LJ-PME tree | commitdiff
2014-06-29 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-06-29 Teemu MurtolaRemove some hardcoded selection string buffers tree | commitdiff
2014-06-29 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-29 Erik LindahlEnable rtp angle/dihedral entries not connected by... tree | commitdiff
2014-06-29 Michael ShirtsAllow printing potential energies to dhdl.xvg file tree | commitdiff
2014-06-29 David van der SpoelFixes #1532, SEGV in g_current. tree | commitdiff
2014-06-28 Mark AbrahamMerge branch 'release-4-6' into release-5-0 tree | commitdiff
2014-06-28 Erik LindahlFixed CMAP generation for alanine dipeptide special... tree | commitdiff
2014-06-28 Magnus LundborgUpdate TNG build system tree | commitdiff
2014-06-28 Mark AbrahamUse parallel terminology more consistently tree | commitdiff
2014-06-28 ngogaDefault SD integrator is now sd1 by Nicu Goga tree | commitdiff
2014-06-28 Teemu MurtolaRemove overeager selection index group check tree | commitdiff
2014-06-27 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-27 Erik LindahlAlways set b-state posres, even if identical to a-state tree | commitdiff
2014-06-27 Erik LindahlUpdate g_density to handle bilayers better tree | commitdiff
2014-06-27 Erik LindahlFix LJPME Lorentz-Berthelot combination rules tree | commitdiff
2014-06-27 Rossen ApostolovChanged linking order to make Extrae work. tree | commitdiff
2014-06-27 Erik LindahlImprove PDB I/O (keep occupancy, b-factor, element) tree | commitdiff
2014-06-27 Erik LindahlAvoid warnings about coupling when free_energy=no tree | commitdiff
2014-06-26 Mark AbrahamMerge "Merge release-4-6 into release-5-0" into release-5-0 tree | commitdiff
2014-06-26 Roland SchulzMerge release-4-6 into release-5-0 tree | commitdiff
2014-06-25 Erik LindahlMake source compile under Linux X32 ABI tree | commitdiff
2014-06-25 David van der SpoelAdded check for domain decomposition and shells. tree | commitdiff
2014-06-24 Magnus LundborgImproved check to decide if to add chain/residue. tree | commitdiff
2014-06-24 David van der SpoelAdded check in grompp for shells and inputrec issues. tree | commitdiff
2014-06-24 Berk HessFixed the sign of mass perturbed contribution tree | commitdiff
2014-06-24 Erik LindahlMake sure duplicates bondeds are set from hackblocks tree | commitdiff
2014-06-24 Erik LindahlClean up CMAP placement in parameter list tree | commitdiff
2014-06-24 Erik LindahlAdded multisimulation info to log/output tree | commitdiff
2014-06-24 Erik LindahlFixed recent bug with disp.corr. and vdwtype=shift tree | commitdiff
2014-06-24 Rossen ApostolovExtend version checking/warnings for checkpoint continu... tree | commitdiff
2014-06-23 Erik LindahlEnable terminus-specific atom translation tree | commitdiff
2014-06-23 Erik LindahlEnable 4-letter resname in PDB output, keeps more pdbinfo. tree | commitdiff
2014-06-23 Erik LindahlEnable xvgr output and labels for g_principal tree | commitdiff
2014-06-23 Erik LindahlDisallow extracting V/F from XTC files in g_traj tree | commitdiff
2014-06-23 Erik LindahlWarn if using nsteps=0 without continuation=yes tree | commitdiff
2014-06-22 David van der SpoelImplemented fatal error for nstcalcenergy!=1 with shells. tree | commitdiff
2014-06-22 Rossen ApostolovMore clear message for undefined pullgroups. tree | commitdiff
2014-06-22 Erik LindahlMake log file option listing similar to mdp names tree | commitdiff
2014-06-21 Vedran MiletićUse ${CMAKE_INSTALL_LIBDIR} as lib directory for tng_io... tree | commitdiff
2014-06-21 Erik LindahlMake sure masses are copied from termini databases tree | commitdiff
2014-06-20 Berk HessFix g_mindist with pbc=XY tree | commitdiff
2014-06-20 Roland SchulzFix that seeking was wrong if frame time was modified tree | commitdiff
2014-06-20 Rossen ApostolovRemoved unused parameters and cleanup of inputrec. tree | commitdiff
2014-06-20 Berk HessFixed shells with particle decomposition tree | commitdiff
2014-06-19 Roland SchulzFix ref error in constraint pull code tree | commitdiff
2014-06-19 Magnus LundborgBumped the TNG library to the latest version. tree | commitdiff
2014-06-18 Erik LindahlFixed CMake 2.8.12+ CUDA dylib bugs and warnings on... tree | commitdiff
2014-06-18 Berk HessFixed sign error in posres dvdl tree | commitdiff
2014-06-18 Mark AbrahamMade mdrun warn when generic kernels are used tree | commitdiff
2014-06-17 Erik LindahlDisabled replica exchange when T not in order tree | commitdiff
2014-06-17 Carlo CamilloniFix a Replica Exchange output problem tree | commitdiff
2014-06-17 Berk HessUpdated mdrun -npme documentation tree | commitdiff
2014-06-17 Roland SchulzFix that skipping fails if target is 2nd frame tree | commitdiff
2014-06-17 Berk HessRemoved rounding issue in nbnxn Ewald table tree | commitdiff
2014-06-14 Berk HessFixed PME bug with #OpenMP-threads a large prime tree | commitdiff
2014-06-14 Erik LindahlMake sure figure legends are adapted to xmgr/xmgrace tree | commitdiff
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