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alexxy/gromacs.git
2017-12-22 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
2017-12-21 Mark AbrahamMerge branch release-5-1 into release-2016 commit | commitdiff | tree | snapshot
2017-12-21 Mark AbrahamBump minor version for theoretical new release commit | commitdiff | tree | snapshot
2017-12-21 Pascal MerzDocumentation and fixes for physical validation commit | commitdiff | tree | snapshot
2017-12-21 Mark AbrahamUpdate double-precision test configurations commit | commitdiff | tree | snapshot
2017-12-21 Mark AbrahamVersion 5.1.5 commit | commitdiff | tree | snapshot
2017-12-21 Roland SchulzUpdate checks for BuildOwnFFT commit | commitdiff | tree | snapshot
2017-12-20 Aleksei IupinovSet GMX_GPU_AUTO to FALSE with GMX_GPU defined commit | commitdiff | tree | snapshot
2017-12-20 Mark AbrahamUse new defaultRealTolerance() to stabilise some tests commit | commitdiff | tree | snapshot
2017-12-20 Mark AbrahamMerge "Merge branch release-2016 into release-2018... commit | commitdiff | tree | snapshot
2017-12-20 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
2017-12-20 Aleksei IupinovRemove potentially wrong "per user request" note from... commit | commitdiff | tree | snapshot
2017-12-19 Berk HessMake acceleration correction VCM mode work commit | commitdiff | tree | snapshot
2017-12-19 Mark AbrahamThird beta release of 2018 commit | commitdiff | tree | snapshot
2017-12-19 Mark AbrahamFix table tests and improve table construction commit | commitdiff | tree | snapshot
2017-12-19 Berk HessMake oversubscription warning consistent commit | commitdiff | tree | snapshot
2017-12-19 Carsten KutznerFix electric field .mdp documentation commit | commitdiff | tree | snapshot
2017-12-19 Erik LindahlUse reduced default tolerances for tpx comparison commit | commitdiff | tree | snapshot
2017-12-18 Roland SchulzFix cmake error with emacs lock files in place commit | commitdiff | tree | snapshot
2017-12-17 Roland SchulzFix typo introduced in b1b1163a245 commit | commitdiff | tree | snapshot
2017-12-17 Roland SchulzChange avx_128_fma build to double commit | commitdiff | tree | snapshot
2017-12-17 Roland SchulzSupport Simd4N for SimdRealWidth<4 commit | commitdiff | tree | snapshot
2017-12-15 Roland SchulzRemove incorrect/misleading OpenMP message commit | commitdiff | tree | snapshot
2017-12-15 Roland SchulzRevert "Use table Ewald for Skylake" commit | commitdiff | tree | snapshot
2017-12-15 Mark AbrahamMake OpenCL implementation of gpu_utils tests conform commit | commitdiff | tree | snapshot
2017-12-14 Mark AbrahamAvoid confusing message at end of non-dynamical runs commit | commitdiff | tree | snapshot
2017-12-14 Mark AbrahamFix return values of frame-reading functions commit | commitdiff | tree | snapshot
2017-12-14 Berk HessRequire -ntmpi with setting -ntomp with GPUs commit | commitdiff | tree | snapshot
2017-12-14 Mark AbrahamMake AVX-512 CMake detction work commit | commitdiff | tree | snapshot
2017-12-14 Paul BauerRemove PBC before generating TPR with group scheme commit | commitdiff | tree | snapshot
2017-12-14 Roland SchulzSimplify CMAP loop commit | commitdiff | tree | snapshot
2017-12-14 Erik LindahlWork around AVX-512 issues in gcc-5.4 and 7.1 commit | commitdiff | tree | snapshot
2017-12-14 Erik LindahlFix PBC error in gmx_spatial commit | commitdiff | tree | snapshot
2017-12-14 Mark AbrahamMerge "Merge branch release-2016 into release-2018... commit | commitdiff | tree | snapshot
2017-12-12 Erik LindahlDocumented power spectrum to gmx velacc commit | commitdiff | tree | snapshot
2017-12-12 Roland SchulzAdd work-around for ICC 18.0/.1 commit | commitdiff | tree | snapshot
2017-12-12 Erik LindahlRequire TPR file for gmx cluster commit | commitdiff | tree | snapshot
2017-12-12 Erik LindahlDisallow ascii formats for gmx trjcat commit | commitdiff | tree | snapshot
2017-12-12 Mark AbrahamImprove grompp missing-parameters error message commit | commitdiff | tree | snapshot
2017-12-12 Berk HessCheck for large energy at first step commit | commitdiff | tree | snapshot
2017-12-12 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
2017-12-12 Berk HessAvoid yelling about thread pinning twice commit | commitdiff | tree | snapshot
2017-12-12 Roland SchulzFix shift usage for KNC commit | commitdiff | tree | snapshot
2017-12-11 Mark AbrahamSecond beta release of 2018 commit | commitdiff | tree | snapshot
2017-12-11 Erik LindahlRemove duplicated lines from OPLS ffbonded.itp commit | commitdiff | tree | snapshot
2017-12-11 Paul BauerFewer messages when -cpi file is not present commit | commitdiff | tree | snapshot
2017-12-11 Roland SchulzReplace intrinsic with inline asm for AVX512 unit test commit | commitdiff | tree | snapshot
2017-12-11 Erik LindahlDon't warn about NVML clocks that are at max commit | commitdiff | tree | snapshot
2017-12-11 Mark AbrahamLeave NVML use off by default commit | commitdiff | tree | snapshot
2017-12-11 Mark AbrahamCheck for GPU detection support before detecting commit | commitdiff | tree | snapshot
2017-12-11 Paul BauerDisallow combination of PME-user and verlet cutoff commit | commitdiff | tree | snapshot
2017-12-11 Mark AbrahamConsume any error produced during GPU detection commit | commitdiff | tree | snapshot
2017-12-11 Mark AbrahamAvoid signed-overflow warning with gcc 7 commit | commitdiff | tree | snapshot
2017-12-11 Mark AbrahamRemove SIMD shift operators commit | commitdiff | tree | snapshot
2017-12-11 Berk HessAdd grompp note for PR pcouple + position restraints commit | commitdiff | tree | snapshot
2017-12-10 Erik LindahlRevert "Disable default-on NVML support in CMake" commit | commitdiff | tree | snapshot
2017-12-10 Berk HessRemove SIMD warning for AMD Zen commit | commitdiff | tree | snapshot
2017-12-10 Berk HessTone down note about not pinning threads commit | commitdiff | tree | snapshot
2017-12-10 Szilárd PállDisable default-on NVML support in CMake commit | commitdiff | tree | snapshot
2017-12-08 Mark AbrahamRefine ulp tolerances for some more ewald tests commit | commitdiff | tree | snapshot
2017-12-08 Berk HessCorrect Shake test tolerances commit | commitdiff | tree | snapshot
2017-12-08 Berk HessAdd Viveca Lindahl as contributor commit | commitdiff | tree | snapshot
2017-12-08 Paul BauerAdd information regarding xlc compiler commit | commitdiff | tree | snapshot
2017-12-07 Erik LindahlAdded cool quote from Viveca's defense commit | commitdiff | tree | snapshot
2017-12-07 Roland SchulzFix AWH test accuracy commit | commitdiff | tree | snapshot
2017-12-07 Berk HessChoose faster nbnxn SIMD kernels on AMD Zen commit | commitdiff | tree | snapshot
2017-12-07 Roland SchulzFix exp test for ICC in double commit | commitdiff | tree | snapshot
2017-12-07 Roland SchulzFix RelWithAssert with ICC commit | commitdiff | tree | snapshot
2017-12-07 Roland SchulzFix C++11 library check's thread dependency commit | commitdiff | tree | snapshot
2017-12-07 Aleksei IupinovRelaxed precision in spline interpolation tests commit | commitdiff | tree | snapshot
2017-12-06 Roland SchulzFix ICC warnings commit | commitdiff | tree | snapshot
2017-12-06 Aleksei IupinovProvide dummy initialization to silence a warning commit | commitdiff | tree | snapshot
2017-12-06 Roland SchulzAdded doxygen note to clarify rounding mode of SIMD commit | commitdiff | tree | snapshot
2017-12-06 Szilárd PállImplement alternating GPU wait commit | commitdiff | tree | snapshot
2017-12-05 Alexey ShvetsovFix build with cmake 3.10 on Linux commit | commitdiff | tree | snapshot
2017-12-05 Aleksei IupinovDo not accept unsupported combination "-pme cpu -pmefft... commit | commitdiff | tree | snapshot
2017-12-05 Mark AbrahamFix mdrun -nb auto -pme auto when GPUs are absent commit | commitdiff | tree | snapshot
2017-12-05 Roland SchulzFix ArrayRef<SimdDInt32> for SSE/AVX128 commit | commitdiff | tree | snapshot
2017-12-05 Mark AbrahamUpdate testing to include cmake 3.10.0 commit | commitdiff | tree | snapshot
2017-12-05 Magnus LundborgSIMD accelerated Urey-Bradley commit | commitdiff | tree | snapshot
2017-12-05 Berk HessFix DD exact continuation bug commit | commitdiff | tree | snapshot
2017-12-04 Berk HessFix pme gather in double with AVX(2)_128 commit | commitdiff | tree | snapshot
2017-12-04 Aleksei IupinovReformulate PME solving tests tolerances commit | commitdiff | tree | snapshot
2017-12-04 Berk HessMerge "Merge branch release-2016 into release-2018... commit | commitdiff | tree | snapshot
2017-12-04 Mark AbrahamFix free_gpu commit | commitdiff | tree | snapshot
2017-12-04 Berk HessFixed initial temperature reporting commit | commitdiff | tree | snapshot
2017-12-04 Mark AbrahamFix unused variables in CPU pruning kernels commit | commitdiff | tree | snapshot
2017-12-04 Mark AbrahamMerge branch release-2016 into release-2018 commit | commitdiff | tree | snapshot
2017-12-04 Berk HessUpdate mdrun signal help text commit | commitdiff | tree | snapshot
2017-12-04 Berk HessOnly stop at nstlist steps with -reprod commit | commitdiff | tree | snapshot
2017-12-04 Erik LindahlFix compilation issues for AVX-512 commit | commitdiff | tree | snapshot
2017-12-03 Berk HessClear vsite velocities for simple integrators commit | commitdiff | tree | snapshot
2017-12-03 Mark AbrahamFix fft5d pinning commit | commitdiff | tree | snapshot
2017-12-03 Berk HessTighten B-spline moduli single precision test tolerance... commit | commitdiff | tree | snapshot
2017-12-02 Berk HessAvoid assertion failure in AWH commit | commitdiff | tree | snapshot
2017-11-30 Viveca LindahlCorrect AWH input file name in documentation commit | commitdiff | tree | snapshot
2017-11-29 Berk HessChange the GPU SMT cut-off to quadratic commit | commitdiff | tree | snapshot
2017-11-28 Erik LindahlFix AVX-512 SIMD test for C commit | commitdiff | tree | snapshot
2017-11-28 Mark AbrahamGROMACS 2018 first beta release commit | commitdiff | tree | snapshot
2017-11-28 Berk HessUpdate documention of Nose-Hoover output commit | commitdiff | tree | snapshot
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