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Åke Sandgren

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07/17/2018

11:23 PM GROMACS Bug #2561: Incorrectly getting "Enabling single compilation unit for the CUDA non-bonded module." when using Cuda 9.0 and gromacs 2018.1
Exactly, it doesn't contain them, thus the code should take the default of using what the CUDA supports.
And there i...
11:02 AM GROMACS Bug #2561: Incorrectly getting "Enabling single compilation unit for the CUDA non-bonded module." when using Cuda 9.0 and gromacs 2018.1
cmd line used:
cmake ../gromacs-2018.2 -DCMAKE_INSTALL_PREFIX=/scratch/ake/gromacs/inst -DCMAKE_VERBOSE_MAKEFILE=ON ...

06/27/2018

11:18 AM GROMACS Bug #2560: GMX_GPU_DETECTION_DONE used but never set in 2018.1 and 2018.2
Yeah, I keep forgetting that feature of git.
Just close this one as invalid.

06/26/2018

09:21 AM GROMACS Bug #2561 (Closed): Incorrectly getting "Enabling single compilation unit for the CUDA non-bonded module." when using Cuda 9.0 and gromacs 2018.1
The Cmake code in cmake/gmxManageGPU.cmake incorrectly ends up in the
message(STATUS "Enabling single compilation un...
08:34 AM GROMACS Bug #2560: GMX_GPU_DETECTION_DONE used but never set in 2018.1 and 2018.2
Ignore....
Need to check all CMake related files for variables.
But there is still something odd in the code in g...
08:26 AM GROMACS Bug #2560 (Rejected): GMX_GPU_DETECTION_DONE used but never set in 2018.1 and 2018.2
GMX_GPU_DETECTION_DONE is used in cmake/gmxManageGPU.cmake but it is never set anywhere.
This causes a likely error ...

02/06/2018

12:22 PM GROMACS Bug #2401 (Closed): Python scripts use hardcoded #!/usr/bin/python instead of #!/usr/bin/env python
The hardcoding of /usr/bin/python makes it overly difficult to point the build to another python installation.
There...

02/05/2018

03:39 PM GROMACS Task #2355: update bundled googletest
There is one "important" change in the 1.8.0 release, it actually has a working GetThreadCount for Linux.
The gmock-...

03/13/2017

10:55 AM GROMACS Revision 1ba7669e: Fix tune_pme detection of GPU support
Change-Id: I60540cefe912f9ae3f602f90fa962bcf62bc61b4
10:55 AM GROMACS Revision 7acdd88a: Fix spacing in tune_pme call to thread-mpi mdrun
Change-Id: I6443ec513a1e4f92d1dc4b65b5ffd4826f93bc24

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