A few tests fail when task-group parallelism is enabled
When running the test suite in parallel with 4 MPI processes and -ntg 2
the following tests fail:
-
pw_berry - berry.in: crashes with message
free(): invalid next size (normal)
-
pw_pawatom - paw-atom_tqr.in: stops after the first iteration with the message:
Error in routine addusdens_r (1):
WRONG CHARGE expected 11.000000, found 8.062531: ions may be overlapping or increase ecutrho
-
pw_uspp - uspp-hyb-g.in: similar error reported above
-
pw_vdw - vdw-ts.in: reports:
Initial potential from superposition of free atoms
starting charge 13.99999, renormalised to 16.00000
--------------------------------------------------------------------------
mpirun noticed that process rank 2 with PID ... exited on signal 11 (Segmentation fault).
- pw_noncolin - noncolin-constrain_total.in: requires a different number of iterations and reports tiny differences in total energies. This is apparently a false positive.
All these tests work fine without "-ntg 2". @giannozz reports that the issue is not compiler specific and that 4. failed also in previous releases.
Steps to reproduce:
- checkout commit: 0195e0aa
- ./configure [--enable-openmp] # same errors with and without OMP
- change test-suite/run-pw.sh and add "-ntg 2" in PARA_POSTFIX
Edited by Pietro