From 290a5d19e19e1f3f92754810553db32bce47cbaf Mon Sep 17 00:00:00 2001 From: edoapra Date: Wed, 27 Sep 2023 11:34:08 -0700 Subject: [PATCH 1/3] nvfortran 23.7 --- travis/build_env.sh | 10 +++++++--- travis/nwchem.bashrc | 2 +- 2 files changed, 8 insertions(+), 4 deletions(-) diff --git a/travis/build_env.sh b/travis/build_env.sh index 931a498d01..c2c4b37a77 100755 --- a/travis/build_env.sh +++ b/travis/build_env.sh @@ -248,11 +248,12 @@ if [[ "$os" == "Linux" ]]; then if [[ "$FC" == "nvfortran" ]]; then $MYSUDO apt-get -y install lmod g++ libtinfo5 libncursesw5 lua-posix lua-filesystem lua-lpeg lua-luaossl nv_major=23 - nv_minor=3 + nv_minor=7 nverdot="$nv_major"."$nv_minor" nverdash="$nv_major"-"$nv_minor" arch_dpkg=`dpkg --print-architecture` - echo 'deb [trusted=yes] https://developer.download.nvidia.com/hpc-sdk/ubuntu/'$arch_dpkg' /' | $MYSUDO tee /etc/apt/sources.list.d/nvhpc.list + curl https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK | sudo gpg --yes --dearmor -o /usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg + echo 'deb [signed-by=/usr/share/keyrings/nvidia-hpcsdk-archive-keyring.gpg] https://developer.download.nvidia.com/hpc-sdk/ubuntu/'$arch_dpkg' /' | sudo tee /etc/apt/sources.list.d/nvhpc.list echo '*** added hpc-sdk source to /etc/aps ***' ls -lrt /etc/apt/sources.list.d/ || true ls -lrt /etc/apt/sources.list.d/nvhpc.list || true @@ -266,7 +267,10 @@ if [[ "$os" == "Linux" ]]; then export PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/bin:$PATH export LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/lib:$LD_LIBRARY_PATH $MYSUDO /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/bin/makelocalrc -x - + #clean stuff we do not use + rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/profilers + rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/comm_libs + rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/math_libs export FC=nvfortran export CC=gcc nvfortran -V ;if [[ $? != 0 ]]; then echo "nvfortran install failed"; exit 1; fi diff --git a/travis/nwchem.bashrc b/travis/nwchem.bashrc index 10ec46598a..bd39f52b92 100644 --- a/travis/nwchem.bashrc +++ b/travis/nwchem.bashrc @@ -42,7 +42,7 @@ fi if [[ "$FC" == "nvfortran" ]]; then nv_major=23 - nv_minor=3 + nv_minor=7 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 From 20610ff44bbebf79ac7c45cdd5c33f5d8b80b433 Mon Sep 17 00:00:00 2001 From: edoapra Date: Wed, 27 Sep 2023 11:45:57 -0700 Subject: [PATCH 2/3] nvfortran 23.7 --- travis/build_env.sh | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/travis/build_env.sh b/travis/build_env.sh index c2c4b37a77..9804e688ea 100755 --- a/travis/build_env.sh +++ b/travis/build_env.sh @@ -268,9 +268,9 @@ if [[ "$os" == "Linux" ]]; then export LD_LIBRARY_PATH=/opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/lib:$LD_LIBRARY_PATH $MYSUDO /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/compilers/bin/makelocalrc -x #clean stuff we do not use - rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/profilers - rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/comm_libs - rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/math_libs + $MYSUDO rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/profilers + $MYSUDO rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/comm_libs + $MYSUDO rm -rf /opt/nvidia/hpc_sdk/Linux_"$arch"/"$nverdot"/math_libs export FC=nvfortran export CC=gcc nvfortran -V ;if [[ $? != 0 ]]; then echo "nvfortran install failed"; exit 1; fi From 8d1be47cab3277678ba3f6268a11e0192badf591 Mon Sep 17 00:00:00 2001 From: edoapra Date: Wed, 27 Sep 2023 15:36:45 -0700 Subject: [PATCH 3/3] reduce size of intel installation --- travis/build_env.sh | 10 ++++++++++ 1 file changed, 10 insertions(+) diff --git a/travis/build_env.sh b/travis/build_env.sh index 9804e688ea..85f4a9e98f 100755 --- a/travis/build_env.sh +++ b/travis/build_env.sh @@ -174,6 +174,15 @@ if [[ "$os" == "Linux" ]]; then # sh ./"$hpc".sh -a -c -s --action remove --install-dir $IONEAPI_ROOT --eula accept sh ./"$base".sh -a -c -s --action install --components intel.oneapi.lin.mkl.devel --install-dir $IONEAPI_ROOT --eula accept + if [[ "$?" != 0 ]]; then + df -h + echo "base kit install failed: exit code " "${?}" + exit 1 + fi + rm -rf $IONEAPI_ROOT/mkl/latest/lib/ia32 + rm -rf $IONEAPI_ROOT/mkl/latest/lib/intel64/*sycl* + rm -rf $IONEAPI_ROOT/mkl/latest/lib/intel64/*_pgi_* + rm -rf $IONEAPI_ROOT/mkl/latest/lib/intel64/*_gf_* intel_components="intel.oneapi.lin.ifort-compiler:intel.oneapi.lin.dpcpp-cpp-compiler-pro" if [[ "$MPI_IMPL" == "intel" ]]; then intel_components+=":intel.oneapi.lin.mpi.devel" @@ -186,6 +195,7 @@ if [[ "$os" == "Linux" ]]; then echo "hpc kit install failed: exit code " "${?}" exit 1 fi + rm -rf $IONEAPI_ROOT/compiler/latest/linux/lib/oclfpga rm -f ./"$hpc".sh ./"$base".sh #Critical updates for 2023.2 # wget https://registrationcenter-download.intel.com/akdlm/IRC_NAS/0d65c8d4-f245-4756-80c4-6712b43cf835/l_fortran-compiler_p_2023.2.1.8.sh