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Compiling with NVHPC #1076

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merged 8 commits into from
Oct 10, 2024
Merged

Compiling with NVHPC #1076

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4aa6636
now nvhpc24.3 compiles
Iximiel May 15, 2024
b74c0a1
upgrade to the workflow
Iximiel May 15, 2024
30e4ec4
changed the position of the define near to where it is needed
Iximiel May 15, 2024
ea55ff9
Update MergeVectorTools.h on GH
Iximiel May 15, 2024
cec19bf
Update MergeVectorTools.h: adding a more explanatory comment
Iximiel May 15, 2024
aa4266e
small modification to the CI
Iximiel May 16, 2024
378fb88
Merge branch 'compileWithNVHPC' of https://github.com/Iximiel/plumed2…
Iximiel May 16, 2024
7053d19
changing again linuxWF for nvhpc
Iximiel Oct 10, 2024
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14 changes: 14 additions & 0 deletions .github/workflows/linuxWF.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -28,6 +28,8 @@ jobs:
# see https://github.com/plumed/plumed2/issues/976
- -intel-
- -pycv-mpi-
#this does not install mpi but uses the internal one
- -nvhpc-mpi-
steps:
- uses: actions/checkout@v4
- uses: actions/cache@v4
Expand Down Expand Up @@ -136,6 +138,18 @@ jobs:
echo "CXX=icpx" >> $GITHUB_ENV
echo "CC=icx" >> $GITHUB_ENV
echo "FC=ifx" >> $GITHUB_ENV
- name: Install NVHPC compiler
if: contains( matrix.variant, '-nvhpc-' )
# use this if it does not work
# wget https://developer.download.nvidia.com/hpc-sdk/24.3/nvhpc_2024_243_Linux_x86_64_cuda_12.3.tar.gz
# tar xpzf nvhpc_2024_243_Linux_x86_64_cuda_12.3.tar.gz
# nvhpc_2024_243_Linux_x86_64_cuda_12.3/install
run: |
curl https://developer.download.nvidia.com/hpc-sdk/ubuntu/DEB-GPG-KEY-NVIDIA-HPC-SDK | sudo gpg --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/amd64 /' | sudo tee /etc/apt/sources.list.d/nvhpc.list
sudo apt-get update -y
sudo apt-get install -y nvhpc-24-3
# nvhpcinstalls his own mpi compilers
- name: Install MPI
# install MPI at last since it modifies CC and CXX
if: contains( matrix.variant, '-mpi-' )
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3 changes: 2 additions & 1 deletion src/tools/MergeVectorTools.h
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Original file line number Diff line number Diff line change
Expand Up @@ -51,7 +51,8 @@ static void mergeSortedVectors(const C* const* vecs, std::size_t size, std::vect
/// to allow using a priority_queu, which selects the highest element.
/// we here (counterintuitively) define < as >
bool operator< (Entry const& rhs) const { return top() > rhs.top(); }
const auto & top() const { return *fwdIt; }
// TODO: revert "typename C::value_type" to "auto": nvc++ and icpc seems to do not deduce automatically the return type
const typename C::value_type & top() const { return *fwdIt; }
void next() { ++fwdIt;};
};

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