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Aleksei Iupinov

  • Registered on: 04/21/2016
  • Last connection: 12/12/2017

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12/12/2017

05:45 PM GROMACS Bug #2285 (Blocked, need info): gcc6 + old glibc isinf/isnan build failure
I managed to build this without GPU, but with CUDA build at least the problem still persists. Passing the define sugg...

12/07/2017

09:13 AM GROMACS Revision a6d24652: Relaxed precision in spline interpolation tests
The recent change I2babd8a7c5d4ab436e67a8b8d1ec0532a482ec94
removed the precision-dependent testing tolerances and
in...
08:54 AM GROMACS Bug #2337: Intel compiler ewald test is failing in double
Those 2 were never caught neither by our matrices nor by me, so they are technically not blocking the beta. Increase ...

12/06/2017

09:51 PM GROMACS Bug #2329: compiler warning with gcc 4.8
Applied in changeset commit:9b0f5b40abac850222f57176c190c2f45d26e676.
03:57 PM GROMACS Revision 9b0f5b40: Provide dummy initialization to silence a warning
Either the real value is set in the loop below, or the program terminates.
Fixes #2329
Change-Id: Iefa89e1e1ad6d454...
11:45 AM GROMACS Bug #2311: NVML compilation issues
So from reading https://gitlab.kitware.com/cmake/cmake/issues/17175 and https://codeyarns.com/2017/11/13/stub-library...

12/05/2017

07:49 PM GROMACS Revision c9a374af: Do not accept unsupported combination "-pme cpu -pmefft gpu"
Previously "-pmefft" was silently ignored in this case,
now this causes an error.
Change-Id: Ia72fc5845591a9ff349a11...

12/04/2017

09:43 PM GROMACS Bug #2306 (Resolved): PME test failing
Applied in changeset commit:7d75ee8b8b3178b09be585c7e9141d4c8c42d7ef.
04:09 PM GROMACS Revision 7d75ee8b: Reformulate PME solving tests tolerances
Output complex grid tolerance is now expressed in terms of
B-spline moduli and SIMD exp() error.
Fixes #2306
Change...
12:44 PM GROMACS Bug #2326: double precision avx(2)_128_fma and sse4.1 broken
Alright, so I don't know much about SIMD, but I can dump what I understand from running ewald-test in this build.
...

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