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Szilárd Páll

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06/12/2018

03:09 PM GROMACS Revision f0c98f46: Also issue OMP_NUM_THREADS reading note to the log
The note that was meant to inform users that OMP_NUM_THREADS was setting
the number of threads in their run (as this ...

06/04/2018

03:39 PM GROMACS Bug #2541: BUILD_OWN_FFTW fails regression tests
Removing the --enable-avx512 flag also eliminates the issue: http://termbin.com/vbu5
I've had a quick look at the ...
03:30 PM GROMACS Bug #2536 (Resolved): clFFT execution not timed in PME
Applied in changeset commit:57aa7af85e213f435dd74e6448e500e36dad7bf9.
03:21 PM GROMACS Revision 57aa7af8: Fix timing of clFFT kernels
Also add some missing docs.
Fixes #2536
Change-Id: If5d9a3d6309e88f8ff4aed2ec58387e290755bb5
02:54 PM GROMACS Bug #2541: BUILD_OWN_FFTW fails regression tests
The FFT unit tests fail too. The funny thing is that it does not fail on a Threadripper machine, but it does fail on ...

06/01/2018

04:34 PM GROMACS Bug #2536 (Fix uploaded): clFFT execution not timed in PME

05/31/2018

09:32 PM GROMACS Bug #2503: post-submit has warnings
...
08:03 PM GROMACS Bug #2536: clFFT execution not timed in PME
Might have a fix for this, didn't look to complicated.
03:14 PM GROMACS Bug #2466: Compile error on Mac with CUDA support
Mark Abraham wrote:
> @Szilard Can you advise about my suggestions, and/or fix please?
I don't know if it would w...

05/30/2018

12:27 AM GROMACS Task #2514: PME OpenCL reductions with intrinsics
Note that same reduction optimization applies to the nonbondeds (at least for AMD for Intel Roland implemented it usi...

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