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[FIX][TEST] rewrote /regtest/secondarystructure/rt-coverage-antibetarmsd for master #1166

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Iximiel
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@Iximiel Iximiel commented Dec 18, 2024

Description

I removed the * from the dumpforces in the "title" test, since it give some problems with checkArgumentType().

Here, DUMPFORCES tries to dump the forces of ALL of the 46 previous actions (spawned by the shortcuts). Maybe it needs some push in the wanted direction

I obtained the following error message by commenting // plumed_merror("WARNING: type for input argument has not been specified"); in Keywords::checkArgumentType):

PLUMED: Action DUMPFORCES
PLUMED:   with label @47
PLUMED:   with stride 1
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED: WARNING for action DUMPFORCES with label @47 : documentation for input type is not provided in DUMPFORCES 
PLUMED:   with arguments : 
PLUMED:    vector with label b 
PLUMED:    vector with label b_lt 
PLUMED:    scalar with label b_lessthan 
PLUMED:    vector with label brf 
PLUMED:    vector with label brf_lt 
PLUMED:    scalar with label brf_lessthan 
PLUMED:    vector with label br 
PLUMED:    vector with label br_lt 
PLUMED:    scalar with label br_lessthan 
PLUMED:    vector with label p_both.struct-1 
PLUMED:    vector with label p_both.struct-2 
PLUMED:    vector with label p 
PLUMED:    vector with label p_lt 
PLUMED:    scalar with label p_lessthan 
PLUMED:    vector with label prf_both.struct-1 
PLUMED:    vector with label prf_both.struct-2 
PLUMED:    vector with label prf 
PLUMED:    vector with label prf_lt 
PLUMED:    scalar with label prf_lessthan 
PLUMED:    vector with label pr_both.struct-1 
PLUMED:    vector with label pr_both.struct-2 
PLUMED:    vector with label pr 
PLUMED:    vector with label pr_lt 
PLUMED:    scalar with label pr_lessthan 
PLUMED:    scalar with label sum 
PLUMED:    scalar with label @45.bias 
PLUMED:    scalar with label @45.force2 
PLUMED:   on file forces

Then this became a segfault when DUMPFORCES is executed.

In v2.9, where the test was born, that * captures a lot less things (see the original reference).

Changing the reference is just a workaround, because now the * for DUMPFORCE is behaving in a perceived different way than in the past and may affect some users.

Note

by some trial and error the culprits for the segfaults may be the compontents of the *_both spawned actions and the extra actions spawned with suffix _lt

Target release

I would like my code to appear in release v2.11 and maybe 2.10?

Type of contribution
  • changes to code or doc authored by PLUMED developers, or additions of code in the core or within the default modules
  • changes to a module not authored by you
  • new module contribution or edit of a module authored by you
Copyright
  • I agree to transfer the copyright of the code I have written to the PLUMED developers or to the author of the code I am modifying.
  • the module I added or modified contains a COPYRIGHT file with the correct license information. Code should be released under an open source license. I also used the command cd src && ./header.sh mymodulename in order to make sure the headers of the module are correct.
Tests
  • I added a new regtest or modified an existing regtest to validate my changes.
  • I verified that all regtests are passed successfully on GitHub Actions.

@Iximiel
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Iximiel commented Jan 14, 2025

About the "0 errors found" then exit with 2: is that because of the skipped tests? Edit: yes, with -coverage PLUMED_ALL_TESTS=yes is active and that makes check fail on skipped tests

The non-applicable tests ask for cregex, is that a requisite leftover of plumed pre-C++17?
Shall I address that in this in this PR?

@Iximiel Iximiel changed the base branch from master to v2.10 January 16, 2025 08:44
@Iximiel Iximiel force-pushed the fix/regtest_secondarystructure_rt-coverage-antibetarmsd branch from 36e6129 to 94b85ce Compare January 16, 2025 08:46
@Iximiel
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Iximiel commented Jan 16, 2025

I rebased this onto v2.10

@carlocamilloni carlocamilloni merged commit f6e1166 into plumed:v2.10 Jan 16, 2025
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2 participants