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Bug #2334

AWH WithParameters/BiasStateTest.InitializesFromFile test fails with ICC

Added by Roland Schulz almost 2 years ago. Updated almost 2 years ago.

Status:
Closed
Priority:
Normal
Assignee:
-
Category:
-
Target version:
-
Affected version - extra info:
Affected version:
Difficulty:
uncategorized
Close

Description

Fails with ICC 17.4 and 18.1 on HSW and KNL (probably on BDW on SKL too). Fine in Debug but fails in Release.

Output (17.4 double on HSW):

../src/gromacs/awh/tests/biasstate.cpp:174: Failure
Value of: msdTarget
  Actual: 1.02315e-35
Expected: 0.0
Which is: 0
[  FAILED  ] WithParameters/BiasStateTest.InitializesFromFile/0, where GetParam() = "pmf_target_format0.xvg" (1 ms)
[ RUN      ] WithParameters/BiasStateTest.InitializesFromFile/1
../src/gromacs/awh/tests/biasstate.cpp:174: Failure
Value of: msdTarget
  Actual: 1.02315e-35
Expected: 0.0
Which is: 0
[  FAILED  ] WithParameters/BiasStateTest.InitializesFromFile/1, where GetParam() = "pmf_target_format1.xvg" (0 ms)

Associated revisions

Revision 4846540b (diff)
Added by Roland Schulz almost 2 years ago

Fix AWH test accuracy

Fixes #2334

Change-Id: Ieda604a3dbd1c253302214559e169581dfc02fe1

Revision 80dd3f5b (diff)
Added by Mark Abraham almost 2 years ago

Update double-precision test configurations

These changes improve coverage of double precision, using more release
mode, particularly with latest gcc and icc, and using 128-bit SIMD,
which have been cases that were buggy recently. The other aspects of
the configurations that have been modified have been
non-critical. Where appropriate, brief rationales are recorded. This
resolves an old TODO item in the post-submit matrix.

Fixed a sign mismatch in initializing an OpenCL variable that didn't
need to be initialized.

Noted relevant new TODOs.

Refs #2300, #2325, #2326, #2334, #2335, #2336, #2337, #2338

Change-Id: I131fa1a6776d1e7809799c3f931a1fc8100fcdc9

History

#1 Updated by Roland Schulz almost 2 years ago

  • Description updated (diff)

#2 Updated by Gerrit Code Review Bot almost 2 years ago

Gerrit received a related patchset '1' for Issue #2334.
Uploader: Roland Schulz ()
Change-Id: gromacs~release-2018~Ieda604a3dbd1c253302214559e169581dfc02fe1
Gerrit URL: https://gerrit.gromacs.org/7300

#3 Updated by Roland Schulz almost 2 years ago

  • Status changed from New to Fix uploaded

#4 Updated by Gerrit Code Review Bot almost 2 years ago

Gerrit received a related patchset '1' for Issue #2334.
Uploader: Mark Abraham ()
Change-Id: gromacs~release-2018~I131fa1a6776d1e7809799c3f931a1fc8100fcdc9
Gerrit URL: https://gerrit.gromacs.org/7303

#5 Updated by Roland Schulz almost 2 years ago

  • Status changed from Fix uploaded to Closed

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