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Memory leaks regarding MPI implementation

Status: Open.

#5109 In cp2k/cp2k;

· Growl1234 opened on Apr 27, 2026

Code development with Spack

spackIssue related to the spack buildIssue related to the spack build

Status: Open.

#5101 In cp2k/cp2k;

· dryndyk opened on Apr 25, 2026

Feature request: thermostat with variable target temperature by region in MD

enhancementNew feature or requestNew feature or request

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#5073 In cp2k/cp2k;

· he-zilong opened on Apr 18, 2026

Add tests for cp2kConfig.cmake

Status: Open.

#5059 In cp2k/cp2k;

· oschuett opened on Apr 13, 2026

Lackof Ubuntu Noble (24.04) release

Status: Open.

#5057 In cp2k/cp2k;

· mrichar1 opened on Apr 13, 2026

Spack docker tests slow with --network=host flag

spackIssue related to the spack buildIssue related to the spack build

Status: Open.

#5055 In cp2k/cp2k;

· Growl1234 opened on Apr 12, 2026

Linking error: undefined references to AcePotInitialize, AcePotCompute, AcePotFinalize when building with libcp2k.so.2026.1

toolchainIssue related to the toolchain buildIssue related to the toolchain build

Status: Open.

#5018 In cp2k/cp2k;

· muyujiaxuan opened on Mar 27, 2026

Atomic polarization tensors by DFPT and r2SCAN aborts after SCF convergence

Status: Open.

#4982 In cp2k/cp2k;

· aestasus opened on Mar 21, 2026

RFC: The expansions to the CP2K manual

discussion needed

enhancementNew feature or requestNew feature or request

help wantedExtra attention is neededExtra attention is needed

Status: Open.

#4972 In cp2k/cp2k;

· Growl1234 opened on Mar 19, 2026

RFC: Make extended XYZ format the default

enhancementNew feature or requestNew feature or request

Status: Open.

#4962 In cp2k/cp2k;

· oschuett opened on Mar 16, 2026

Random crashing on 2026.1 revision 04652bb80a when running BAND and GEO_OPT

needinfoMore information is needed from the reporterMore information is needed from the reporter

Status: Open.

#4936 In cp2k/cp2k;

· Matt-A-Thompson opened on Mar 11, 2026

CI-NEB calculation stuck at one band step without updating to the next

discussion needed

needinfoMore information is needed from the reporterMore information is needed from the reporter

Status: Open.

#4925 In cp2k/cp2k;

· 149448 opened on Mar 9, 2026