nvidia hpc sdk 22.1 & aocc 3.2.0

.github/workflows/github_actions.yml

@@ -237,7 +237,7 @@ jobs:
           path: |
             ~/cache
             ~/apps
-          key: ${{ matrix.os }}-${{ matrix.mpi_impl}}-${{ matrix.fc}}-xcode${{ matrix.xcode_version}}-simint${{ matrix.use_simint}}-blas${{ matrix.blas}}-simd${{ steps.get-simd.outputs.simd }}-nwchemcache-v012
+          key: ${{ matrix.os }}-${{ matrix.mpi_impl}}-${{ matrix.fc}}-xcode${{ matrix.xcode_version}}-simint${{ matrix.use_simint}}-blas${{ matrix.blas}}-simd${{ steps.get-simd.outputs.simd }}-nwchemcache-v013
       - name: fetch apps cache
         if: steps.setup-cache.outputs.cache-hit == 'true'
         run: |

travis/build_env.sh

@@ -141,7 +141,7 @@ fi
 	    export LD_LIBRARY_PATH=/usr/lib/aomp_"$aomp_major"."$aomp_minor"/lib:$LD_LIBRARY_PATH
 	    ls -lrt /usr/lib | grep aomp ||true
 	else
-	    aocc_version=3.1.0
+	    aocc_version=3.2.0
 	    aocc_dir=aocc-compiler-${aocc_version}
 	    curl -LJO https://developer.amd.com/wordpress/media/files/${aocc_dir}.tar
 	    tar xf ${aocc_dir}.tar
@@ -154,8 +154,8 @@ fi
     fi
     if [[ "$FC" == "nvfortran" ]]; then
 	sudo apt-get -y install lmod g++ libtinfo5 libncursesw5 lua-posix lua-filesystem lua-lpeg lua-luaossl
-	nv_major=21
-	nv_minor=11
+	nv_major=22
+	nv_minor=1
 	nverdot="$nv_major"."$nv_minor"
 	nverdash="$nv_major"-"$nv_minor"
 	arch_dpkg=`dpkg --print-architecture`

travis/nwchem.bashrc

@@ -35,8 +35,8 @@ if [[ "$FC" == "nvfortran" ]]; then
 #    module use /opt/nvidia/hpc_sdk/modulefiles
 #    module load nvhpc
 #     export BUILD_MPICH=1
-     nv_major=21
-     nv_minor=11
+     nv_major=22
+     nv_minor=1
      nverdot="$nv_major"."$nv_minor"
      export PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/bin:$PATH
      export LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/lib:$LD_LIBRARY_PATH