From 08a9df852022fe2124b9a8db27683097c8e682c5 Mon Sep 17 00:00:00 2001 From: edoapra Date: Tue, 11 May 2021 10:43:28 -0700 Subject: [PATCH] new nvfortran simint step --- .github/workflows/github_actions.yml | 9 +++++++++ 1 file changed, 9 insertions(+) diff --git a/.github/workflows/github_actions.yml b/.github/workflows/github_actions.yml index 5db0bbe4a4..88eef200c1 100644 --- a/.github/workflows/github_actions.yml +++ b/.github/workflows/github_actions.yml @@ -93,6 +93,14 @@ jobs: nwchem_modules: "nwdft solvation driver" fc: gfortran-10 use_simint: 1 + - os: ubuntu-20.04 + experimental: true + mpi_impl: mpich + armci_network: mpi-ts + nwchem_modules: "tinyqmpw python" + fc: nvfortran + cc: gcc + use_simint: 1 - os: ubuntu-20.04 experimental: true mpi_impl: mpich @@ -143,6 +151,7 @@ jobs: NWCHEM_MODULES: ${{ matrix.nwchem_modules }} USE_SIMINT: ${{ matrix.use_simint }} FC: ${{ matrix.fc }} + CC: ${{ matrix.cc }} COMEX_MAX_NB_OUTSTANDING: 4 SIMINT_MAXAM: 3 SIMINT_VECTOR: avx2