plumed/plumed2

INTEL compiler not working on GH Actions

GiovanniBussi opened this issue · 5 comments

There seems to be an issue with the certificate from INTEL.

I will temporarily disable the test and leave this issue open as a reminder

Have you checked recently if this issue has fixed itself?

If this issue hasn't already resolved itself, one thing you may want to do is tweak the key process slightly so it always pulls the most recent key instead of the 2023-specific key. This would involve modifying the following lines

wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB

to

wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
rm GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB

Lastly, since you are using the Intel OpenAPI would it be possible to please also test icpx as part of the intel test? The intel classic compilers (icc and icpc) are both deprecated and will be removed at the end of the year, so it would be good to check that icpx is working for plumed. Thanks!

For icpx specifically, there is a possibility you may need to add the CXXFLAGS -qopenmp or -fiopenmp instead of the traditional -fopenmp for it to link properly.

I am testing this

wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
rm GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB

and it works (branch test_intel), thanks!
I will now try to switch it to the icpx compiler.

cf #990 where the new compilers work well to build plumed but we have multiple regtest failing not only for numerical issues.

Thank you all for addressing this so quickly!