Commits · v4.6.1 · Annajiat Alim Rasel / GROMACS · GitLab

Mar 05, 2013
- New patch release 4.6.1 · 1825c88d
  Mark Abraham authored Feb 16, 2013
  View commits for tag v4.6.1 v4.6.1
  1825c88d
- Fix automated regression testing GMXLIB value · abc567b6
  Mark Abraham authored Mar 05, 2013
  abc567b6
- fixed bug with DD cut-off check and PME DLB · e348e56a
  Berk Hess authored Feb 28, 2013
  e348e56a
- Fix regressiontests automated download · f67a39ce
  Mark Abraham authored Feb 27, 2013
  f67a39ce
- fixed recent bug with sorting atoms for GPUs · bdcca19a
  Berk Hess authored Feb 20, 2013
  bdcca19a
- Update shell completions · ca99be56
  Mark Abraham authored Feb 20, 2013
  ca99be56
- Update outdated admin things · 07483687
  Mark Abraham authored Feb 15, 2013
  07483687
- Fixes for install guide page. · ca0084cd
  Justin Lemkul authored Feb 08, 2013
  ca0084cd
- Updated install guide · 67510811
  Mark Abraham authored Feb 20, 2013
  67510811
- Warn if X11 was not found and the user wanted it · f20a067f
  Mark Abraham authored Mar 05, 2013
  f20a067f
Mar 02, 2013
- Merge "Uncrustified code changes since 4.6" into release-4-6 · 44449c16
  Christoph Junghans authored Mar 03, 2013
  
  44449c16
Feb 28, 2013
- Declaration-definition consistency nbxn_cuda_wait_gpu. · 37985183
  Peter Kasson authored Feb 27, 2013
  37985183
Feb 26, 2013
- Uncrustified code changes since 4.6 · a48cd30b
  Mark Abraham authored Feb 16, 2013
  a48cd30b
Feb 25, 2013
- fix imcompatibility with tpr vers<64 with free energy option · 8dfabe50
  Michael Shirts authored Feb 24, 2013
  8dfabe50
Feb 20, 2013
- Bump shared object version to 8 · cdaf7223
  Christoph Junghans authored Feb 15, 2013
  cdaf7223
- fixed issues with FEP soft-core and cut-off's · a46b7f1f
  Berk Hess authored Feb 08, 2013
  a46b7f1f
- Merge release-4-5-patches into release-4-6 · ceb64636
  Mark Abraham authored Feb 19, 2013
  ceb64636
Feb 18, 2013
- fixed GPU particle gridding performance issue · 8d6cc146
  Berk Hess authored Feb 14, 2013
  8d6cc146
- Made g_tune_pme work with 4.6 if user sets "-p" command line option · 6942bd5b
  Carsten authored Feb 15, 2013
  6942bd5b
- Fix CMake namespace pollution · f5f8015b
  Mark Abraham authored Feb 09, 2013
  f5f8015b
- Issue errors/warnings for ICC before 12.0.0 · c5ac1409
  Roland Schulz authored Jan 21, 2013 and Mark Abraham committed Feb 18, 2013
  c5ac1409
Feb 15, 2013
- bugfix for md-vv + nose-hoover + (nstcalcenergy > nsttcouple) · f993c6b7
  Michael Shirts authored Feb 13, 2013 and Mark Abraham committed Feb 15, 2013
  f993c6b7
- Use explicit kernel pointer typecasts · 4ac8db94
  Mark Abraham authored Jan 29, 2013
  4ac8db94
- Merge "Minor fixes to Verlet kernels" into release-4-6 · 22847291
  Mark Abraham authored Feb 15, 2013
  
  22847291
- Merge "improved PME load balancing reporting" into release-4-6 · 4b9f425f
  Mark Abraham authored Feb 15, 2013
  
  4b9f425f
- Merge "Re-generated group kernels" into release-4-6 · 08cc450a
  Mark Abraham authored Feb 15, 2013
  
  08cc450a
- Merge "Unwinds flag dependencies in g_order." into release-4-6 · 91874609
  Mark Abraham authored Feb 15, 2013
  
  91874609
- Merge "Fixed an initialization issue in gmx_dipoles." into release-4-6 · be20ec8a
  David van der Spoel authored Feb 15, 2013
  
  be20ec8a
- Merge "use legacy CUDA non-bonded kernels only on Fermi" into release-4-6 · 35bd323a
  Mark Abraham authored Feb 15, 2013
  
  35bd323a
- Merge "More descriptive Verlet kernel macro parameter names" into release-4-6 · 09a2a11c
  Mark Abraham authored Feb 15, 2013
  
  09a2a11c
- Fixed an initialization issue in gmx_dipoles. · 39f80af1
  Sander Pronk authored Feb 15, 2013
  39f80af1
- improved PME load balancing reporting · df7fbab9
  Berk Hess authored Feb 05, 2013
  df7fbab9
- Minor fixes to Verlet kernels · 027bc8b1
  Mark Abraham authored Jan 28, 2013
  027bc8b1
- Unwinds flag dependencies in g_order. · baa65b60
  Peter Kasson authored Jan 22, 2013 and Mark Abraham committed Feb 15, 2013
  baa65b60
- Merge "Fix and add Verlet kernel error messages" into release-4-6 · 15f932df
  Mark Abraham authored Feb 15, 2013
  
  15f932df
Feb 13, 2013
- Merge "Fix code bug with thread-MPI on PowerPC with xlc" into release-4-6 · 1e22e547
  Sander Pronk authored Feb 13, 2013
  
  1e22e547
- Merge "Fixed the MPI recognition string in g_tune_pme" into release-4-6 · fc4b5265
  Roland Schulz authored Feb 13, 2013
  
  fc4b5265
- Merge "improve setup of multiple tf tables" into release-4-6 · e8d68825
  Roland Schulz authored Feb 13, 2013
  
  e8d68825
- Plain text quotes. · 2b05689c
  David van der Spoel authored Dec 15, 2012
  2b05689c
- Fix code bug with thread-MPI on PowerPC with xlc · 960bffaa
  Mark Abraham authored Jan 29, 2013
  960bffaa