Compiling with NVHPC

[Iximiel]

Description

In this PR I will set up some modifications to the code in order to make possible to compile all plumed with nvhpc v24.3.

As now is a work in progress, I do not know if the CI will even start and some regtests are failing on my pc, the PR is set up to check easily if the modifications do not break other compilers against the master branch.

Target release

I would like my code to appear in release 2.10

Type of contribution

• changes to code or doc authored by PLUMED developers, or additions of code in the core or within the default modules
• changes to a module not authored by you
• new module contribution or edit of a module authored by you

Copyright

• I agree to transfer the copyright of the code I have written to the PLUMED developers or to the author of the code I am modifying.

• the module I added or modified contains a COPYRIGHT file with the correct license information. Code should be released under an open source license. I also used the command cd src && ./header.sh mymodulename in order to make sure the headers of the module are correct.

Tests

• I added a new regtest or modified an existing regtest to validate my changes.
• I verified that all regtests are passed successfully on GitHub Actions.

[carlocamilloni]

@Iximiel it looks ready to be merged, I would retarget it for v2.10 though so that it is easier for other people wanting to contribute gpu code to do it

[Iximiel]

@Iximiel it looks ready to be merged, I would retarget it for v2.10 though so that it is easier for other people wanting to contribute gpu code to do it

@carlocamilloni I retargeted v2.10, since it was the original aim for this, can you rerun the CI? I do not remember why -debug- and -intel- are failing

[carlocamilloni]

@Iximiel it cannot be rerun from web because it is too old, you should push some empty or amend commit i think

[Iximiel]

@Iximiel it cannot be rerun from web because it is too old, you should push some empty or amend commit i think

I removed the mpicc++ --version debug line from the WF

[Iximiel]

@carlocamilloni Now it passes -debug- and -intel-, I suspect that was the line I used to "debug" the mpicc version

I removed the mpicc++ --version debug line from the WF