#1131374 nwchem: execution reports an ompi related error to the CLI

#1131374#5
Date:
2026-03-20 17:17:52 UTC
From:
To:
Dear Maintainer,

after the installation by `apt install nwchem` which equally provides `nwchem-
data` and `nwchem-openmpi`, I run the example about nitrogen of NWChem's
"Getting Started"[1] by

```bash
nwchem nitrogen.nw > out.log
````

The program proceeds and yields a `out.log` in good shape.[2]  Contrasting to
expectation, while running, the program still reports multiple lines

```
[debian:87386] ../../../../../../ompi/mca/osc/ucx/osc_ucx_component.c:375
Error: OSC UCX component priority set inside component query failed
```

before closing with

```
[0] ARMCI Warning: Freed 1 leaked allocations
```

to the CLI.

This stream to CLI equally is observed while running NWChem's example about
water (from same page), or with capitalized element symbols[3]

```
title "Nitrogen cc-pvdz SCF geometry optimization"
geometry
  N 0 0 0
  N 0 0 1.08
end
basis
  N library cc-pvdz
end
task scf optimize
```


[1] https://nwchemgit.github.io/Getting-Started.html#simple-input-file-scf-
geometry-optimization
[2] https://github.com/nwchemgit/nwchem/issues/1261
[3] https://github.com/BobHanson/Jmol-SwingJS/issues/52

#1131374#10
Date:
2026-10-06 10:58:59 UTC
From:
To:
This appears to be a general issue in openmpi
c.f. https://github.com/open-mpi/ompi/issues/12517

The only way to avoid it at the moment appears to be by
explicitly deactivating UCX with
  --mca osc ^ucx
or
  OMPI_MCA_osc=^ucx

e.g. mpi4py did so for its own CI testing,
https://github.com/mpi4py/mpi4py/pull/780