Paul R. C. Kent
Paul R. C. Kent
Did the Nexus tests ever pass?
(I have hopefully fixed the conflict correctly. Will see if the CI passes.)
Test this please
``` The following tests FAILED: 1549 - ntest_nexus_machines (Failed) Errors while running CTest ``` We can't merge this without either breaking the CI for ~every build or exempting Nexus from...
Fair question. We are currently chasing issues in the real space methods where there is more demand and therefore urgency (e.g. the related #4628 and #4675 ). I had been...
Yuri - FYI, we are gearing up for the 3.16.0 release. Installing FreeBSD in a test VM (first time), I was able to build the current development version and have...
Can you please confirm if this still exists in 6.0? If it was fixed, where was the fix made?
Some comments, background: I notice your cell is particularly "tall" ``` a b c alpha beta gamma 4.26837 4.26837 27.00996 99.0925 99.0925 60.0000 ``` and the error is from `src/Particle/Lattice/LatticeAnalyzer.h`...
This goes wrong after first use of the wavefunction. Can you please put the pwscf.pwscf.h5 in (say) the global shared on OLCF?
Tried a GCC 13.2 CPU build on nitrogen2 (RHEL9.3) and was not able to reproduce the problem. Will try CADES directly. Possibly there is a compiler or numerical tolerance issue....