Package: nwchem
Version: 7.3.0-1
Severity: normal
Control: forwarded -1 https://github.com/nwchemgit/nwchem/issues/1196
debci tests for nwchem 7.3.0 are passing, except for water_pme:
708s 00/10/25 08:24:45 md 0+ 10000 @ 298.15 K water_md
708s 00/10/25 09:11:13 md 0+ 50000 @ 298.15 K water_md
708s 00/10/25 11:28:04 md 0+ 50000 @ 298.15 K water_md
708s ME = 0 Illegal input to pfft3d. INFO=
-8
708s ME = 0 Exiting via pfft3d
708s cat:
/tmp/autopkgtest-lxc.85ctlaf8/downtmp/build.YJL/src/QA/testoutputs/water_pme.err:
No such file or directory
e.g. https://ci.debian.net/packages/n/nwchem/unstable/amd64/65736964/
Reported upstream at https://github.com/nwchemgit/nwchem/issues/1196
