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Stefan Becuwe

  • Registered on: 03/05/2019
  • Last connection: 06/09/2020

Issues

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04/30/2019

08:17 AM GROMACS Bug #2902: 2019.1 equilibration issue? (Intel 2018u3)
Hello Berk
I add the logfiles from the runs with GMX_NO_UPDATEGROUPS on 1 node and 4 nodes (the same number of nod...

04/29/2019

01:31 PM GROMACS Bug #2902: 2019.1 equilibration issue? (Intel 2018u3)
Hello Berk
Just added 0519-gromacs-2018_3.log
Thanks for looking at it!
Kind regards
Stefan

04/18/2019

02:07 PM GROMACS Bug #2902: 2019.1 equilibration issue? (Intel 2018u3)
Hello Erik
Just an update: it's exactly the same problem with GROMACS 2019.2, compiled as described above with Int...

03/25/2019

09:42 AM GROMACS Bug #2902: 2019.1 equilibration issue? (Intel 2018u3)
Hello Erik
I already ran "make check" (with regression tests) for issue #2876, but it seemed the few errors report...

03/22/2019

02:12 PM GROMACS Bug #2902 (New): 2019.1 equilibration issue? (Intel 2018u3)
Hello
While testing our GROMACS installation, I used an input file from one of our users. It works well on GROMACS...

03/08/2019

10:32 AM GROMACS Bug #2876: 2019.1 make check fails on AVX and AVX2 (Intel 2018u3)
Hello Roland
It seems those two specific tests (expanded and simtemp) from freeenergy are influenced by the enviro...

03/07/2019

01:34 PM GROMACS Bug #2876: 2019.1 make check fails on AVX and AVX2 (Intel 2018u3)
Hello Erik
Update: I also tried the Intel 2019 update 2 compilers. Adding the '-no-ftz' flag on the AVX machine, a...

03/05/2019

02:50 PM GROMACS Bug #2876 (New): 2019.1 make check fails on AVX and AVX2 (Intel 2018u3)
Hello
make check fails in 2019.1 on two different platforms. In both cases I used Intel 2018 update 3 compilers.
...

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