- Registered on: 03/12/2013
- Last connection: 06/19/2019
- 12:53 PM GROMACS Task #2983: better suited data-types for bonded GPU kernels
- Since I'm far from an expert at GPU programming (I just try to learn as I go along) I'm afraid I can't say what alter...
- 09:33 PM GROMACS Task #2983: better suited data-types for bonded GPU kernels
- I'll be happy to try to help with this as well, but I must admit I don't know how to prefetch the data in a suitable ...
- 04:36 PM GROMACS Bug #2958: Compiling master (to become 2020) using CUDA 9.0
- With CUDA-9.2 I can compile with gcc-7, but not gcc-6 (I haven't tested gcc-5).
- 04:26 PM GROMACS Bug #2958 (New): Compiling master (to become 2020) using CUDA 9.0
- When compiling master with CUDA 9.0 (gcc-5 or gcc-6) I get the following type of errors:
- 02:44 PM GROMACS Task #2818: bonded GPU kernel fusion
- I'm assigning this to myself for now. Hopefully I can do this, but will probably need some advice along the way.
- 02:30 PM GROMACS Bug #2800 (Resolved): gmx analyze cannot use lmfit
- Applied in changeset commit:07ea0377472ffc18c16fbd3dbc38c7cb1f63c484.
- 02:23 PM GROMACS Revision 07ea0377: Set HAVE_LMFIT properly
- The HAVE_LMFIT was only set in the local scope.
- 04:10 PM GROMACS Bug #2800 (Closed): gmx analyze cannot use lmfit
- When using the -fitfn option of gmx analyze I get:
This build of GROMACS was not configured with sup...
- 10:36 AM GROMACS Revision 707a94f6: Make pull with COM from previous step work with MPI
- There was no communication between the ranks, which caused
crashes with MPI and tMPI. This fixes that.
- 05:14 PM GROMACS Bug #2769: mdrun freezes when running too many threads
- The commit that fixes this (Gerrit commit 8746) does not fix #2776. I'm looking into if there's any relationship to t...
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