- Email: firstname.lastname@example.org
- Registered on:
- Last connection: 11/29/2017
- 05:47 PM GROMACS Bug #2311: NVML compilation issues
- OK, thank you. I will ask our adminstrator to upgrade the drivers.
- 01:29 PM GROMACS Bug #2311: NVML compilation issues
NVIDIA-SMI 375.66 Driver Version: 375.66
Is this insufficient for Cuda ...
- 01:24 PM GROMACS Bug #2311: NVML compilation issues
With -DGMX_USE_NVML=OFF, Gromacs 2018-beta1 compiles fine with Cuda 9 and gcc 6.3, but mdrun does not find...
- 12:41 PM GROMACS Bug #2311: NVML compilation issues
- Gromacs 2018 beta1,
on a Scientific Linux, 12-core Xeon, GTX 1080, differnet gcc compiliers, linking stops with:
- 11:21 PM GROMACS Revision a177da89: Fixed bug in gmx wham for reading pullx files.
- Because the order of columns in the pullx files has changed recently, gmx wham
did not pick the reaction coordinate f...
- 05:58 PM GROMACS Revision 3f6aff77: Fixed bug in gmx insert-molecules.
- With option -ip, and if all trials were unsuccessful, a molecule was
eventually incorrectly placed at 0/0/0 due to a ...
- 04:04 PM GROMACS Revision 9aef7701: Updated g_wham for the new pull setup
- This bring g_wham up to date with the new pull setup where the pull
type and geometry can now be set per coordinate a...
- 02:06 PM GROMACS Revision c5418567: OpenMP parallelization of g_wham
- The inner loops of g_wham now allow OpenMP parallelization.
The computed PMFs are identical up to 5 digits at differe...
- 08:58 PM GROMACS Revision a9f0dd85: Fixed non-working flat-bottom posres code.
- Change-Id: I905ba495981370bd9346909a707a61e10a852907
- 03:13 PM GROMACS Feature #1346: COM pulling increased flexibility and clarification
- We would be happy if multiple reference groups would be possible. Such that for each pull group, an mdp options speci...
Also available in: Atom