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Roland Schulz

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04/17/2018

06:51 PM GROMACS Feature #742: Enhancing the performance of the free energy code
Could you update the tpr files or upload the files to generate the tpr files? Those tpr can't be execute with 2018 ve...

03/15/2018

07:15 PM GROMACS Task #2030: make OpenCL kernels work on Intel iGPU
Is it known what other issues need to be resolved to get correct results for iGPU?
07:14 PM GROMACS Task #2030: make OpenCL kernels work on Intel iGPU
The runtime which is now available and will be the main one going forward is: https://01.org/compute-runtime . It is ...

03/06/2018

12:03 AM GROMACS Feature #1181: Implementing asymmetric offload to MIC (Xeon Phi Co-processor)
Correct. If anyone is interested https://github.com/rolandschulz/gromacs/commits/offload-knl contains the latest work...

02/27/2018

03:22 PM GROMACS Bug #2419: Asserting failure in simd gatherLoadUTranspose with DDT
Does it work in DDT if you disable memory debugging (and thus no guard pages)? I think the memory debugging in DDT us...

02/13/2018

01:52 AM GROMACS Bug #2404: Enabling floating point exceptions makes some tests fail
I think this is a problem with clang not having proper fp-exception support. If a quick look at the asm isn't mislead...

02/12/2018

10:38 PM GROMACS Bug #2404: Enabling floating point exceptions makes some tests fail
I thought that because I reverted ab4d87ef1b25 (the revert commit) I didn't need any flag. I do get an error with th...
09:35 PM GROMACS Bug #2404: Enabling floating point exceptions makes some tests fail
How did you manage to reproduce it?
For me I don't see errors:
clang 5.0.1
git checkout ab6e08fa58b468
git rev...
08:53 PM GROMACS Bug #2404: Enabling floating point exceptions makes some tests fail
The FPE goes away at -O0 independent of whether you use ASAN or not? I doubt that the FPE itself is a falsely emitted...

02/09/2018

07:19 PM GROMACS Bug #2404: Enabling floating point exceptions makes some tests fail
vagrind accepts some intrinsics. But which depends on the version of valgrind. Starting with 3.12 it should have FMA4...

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