GROMACS development

10/17/2017

01:22 PM GROMACS Bug #1693: Jenkins Tests seldomly failing

Pull_constraint failure for a change
http://jenkins.gromacs.org/job/Matrix_PreSubmit_master/1615/OPTIONS=gcc-5%20o...

10/13/2017

02:44 PM GROMACS Revision ac93271b: Relax PME spline computation tolerance in double precision tests

Change-Id: I8c3502dd84e21d20be057d47d4afa589d779eb90

10/12/2017

03:05 PM GROMACS Revision 4348a2f3: Remove useless extern CUDA texture reference declarations from PME

These are only accessed from the same compilation unit (pme-spread.cu)
on the device side, and the host side is only ...

02:55 PM GROMACS Revision f3598d86: Revert "Drop NB_ from GMX_CUDA_NB_SINGLE_COMPILATION_UNIT cmake define"

This reverts commit 3880255b0, which was made in confusion
stemming from combination of multiple CUDA compilation uni...

10/11/2017

10:49 PM GROMACS Revision f77a6ca2: Fix clang warnings for PME CUDA kernels

Change-Id: I28f67c70b1ff4611f2456a5935a727c49e10e691

10:48 PM GROMACS Revision 02b96e35: Relax PME solving test complex grid tolerance

PME CUDA solving change (Ic610e7f) tightened the output grid
tolerance from 50 down to 16 ULPs, making one of the LJP...

05:18 PM GROMACS Revision 525e24ee: CUDA 9/Volta support for PME

Change-Id: Icd5cdf16f9118347179dfcbdd162f0cb39cbdd69

04:35 PM GROMACS Revision 7bec7e1f: PME solving - CUDA kernel + unit tests

The CUDA implementation of PME solving is added in pme-solve.cu.
The unit tests for PME CPU solving are extended to w...

03:11 PM GROMACS Revision 4231cc37: PME force gathering - CUDA kernel + unit tests

The CUDA implementation of PME force gathering for PME order 4 is added
in pme-gather.cu. The unit tests for PME CPU ...

02:11 PM GROMACS Revision 3880255b: Drop NB_ from GMX_CUDA_NB_SINGLE_COMPILATION_UNIT cmake define

Update the messages as well; the build setting should not be NB-exclusive.
Change-Id: I6b730ed7471253d50ce3294de86a1...