comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-27 21:55:30 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1

Merge pull request #1223 from edoapra/libstdcpp-error

Browse source 
fix for FPE with ifx
This commit is contained in:
NWChem: Open Source High-Performance Computational Chemistry 2025-12-15 17:05:16 -08:00 • committed by GitHub
commit f47622ff8b
No known key found for this signature in database
GPG key ID: B5690EEEBB952194
3 changed files with 5 additions and 4 deletions
Download patch file Download diff file Expand all files Collapse all files

2
.github/workflows/docker_actions.yml vendored
View file

@ -28,7 +28,7 @@ jobs:
fetch-depth: 5
- name: Setup cache
id: setup-cache
uses: actions/cache@v4
uses: actions/cache@v5
with:
path: |
~/cache

2
.github/workflows/github_actions.yml vendored
View file

@ -475,7 +475,7 @@ jobs:
shell: bash
- name: Setup cache
id: setup-cache
uses: actions/cache@v4
uses: actions/cache@v5
with:
path: |
~/cache

5
src/nwpw/pspw/lib/coulomb/coulomb.F
View file

@ -68,8 +68,9 @@ c > + i+1
> + dbl_mb(G(2)+i-1)*dbl_mb(G(2)+i-1)
> + dbl_mb(G(3)+i-1)*dbl_mb(G(3)+i-1) )
if (((pzero.eq.taskid) .and. (i.eq.zero)).or.
E (abs(gg) .lt.toll)) then
if ((abs(gg) .lt.toll)) then
dbl_mb(tmp1(1)+i-1) = 0.0d0
elseif (((pzero.eq.taskid) .and. (i.eq.zero))) then
dbl_mb(tmp1(1)+i-1) = 0.0d0
else
dbl_mb(tmp1(1)+i-1) = fourpi/gg