Issues intel compilers

[67]

Hi there,

I try to make use of the intel compilers, to compile certain software packages in a conda environment. More specific among others PETSc version 3.19.5.

First of all, I try to install the required packages from the intel channel. But I start to encounter the first problems after I installed the packages mentioned on this page: https://www.intel.com/content/www/us/en/docs/oneapi/installation-guide-windows/2023-0/conda.html

After those packages are installed in an environment, the compilers are not installed along if I am not mistaken. I think those should be downloaded separately, but to make it somewhat simpler I tried to install hcc::oneapi immediately in the conda-environment. This one contains oneapi version 2021.6.0. Therefore I choose to install all the versions from the mentioned link, released on 27th April 2022 (which are versions 2021.6.0 or 2022.1.0 for those packages).

When I try to install several packages like h5py, tensorflow, matplotlib, pyvista, mpi4py, etc, this results in conflicting errors. In the end, those packages could not be installed in the same conda environment. Because of this, I choose to set up another 2nd conda environment with those packages. In this 2nd environment, the compilers are set to point to the intel compilers in the 1st environment. So what I tried to do to compiler PETSc with those compilers;

export PATH="/home/username/miniconda3/envs/1st_ENV/bin:$PATH"
export CONDA_PREFIX="/home/username/miniconda3/envs/2nd_ENV"
export CONDA_ENVS_PATH="/home/username/miniconda3/envs/1st_ENV:/home/username/miniconda3/envs/2nd_ENV"
cmake -DCMAKE_C_COMPILER=/home/username/miniconda3/envs/1st_ENV/bin/mpiicc -DCMAKE_CXX_COMPILER=/home/username/miniconda3/envs/1st_ENV/bin/mpiicpc -DCMAKE_Fortran_COMPILER=/home/username/miniconda3/envs/1st_ENV/bin/mpiifort
export CC=/home/username/miniconda3/envs/1st_ENV/bin/mpiicc
export CXX=/home/username/miniconda3/envs/1st_ENV/bin/mpiicpc
export FC=/home/username/miniconda3/envs/1st_ENV/bin/mpiifort

This is the line I try to use to compile the PETSc software; ./configure PETSC_ARCH=linux-gnu-intel --with-cc=mpiicc --with-cxx=mpiicpc --with-fc=mpiifort. This returns an error associated to the fortran compiler; Fortran compiler you provided with --with-fc=mpiifort cannot be found or does not work. Cannot compile/link FC with mpiifort. If i set --with-fc=0, the following error is encountered; Unable to find mpi in default locations!
Perhaps you can specify with --with-mpi-dir=<directory>
If you do not want MPI, then give --with-mpi=0
You might also consider using --download-mpich instead

Is there a solution and what is the way to go? I strongly prefer to use conda, because I do not have root access on the HPC.

I look forward to a response and already thank for any help provided.

Kind regards

[Vipin_Singh1]

Hi Stijn, please note that Intel® has decided that Intel® Toolkits Versions: 2024.0.0 and earlier are not supported anymore. We urge users to upgrade to the latest version of Intel® developer tools. The unsupported versions do not include the latest functional and security updates. These versions are targeted to be removed after a period. We understand that this might be challenging, but it's important to note that the users with active priority support can only access older product versions.

For more information refer to the link: https://www.intel.com/content/www/us/en/developer/articles/release-notes/oneapi-supported-product-versions.htm, and scroll down to the Unsupported Product Version.

Intel® oneAPI users with active Intel Priority Support can access older versions via a secure portal you gain access to as part of your support subscription. 

FAQ's Priority Support Link: https://www.intel.com/content/www/us/en/developer/get-help/faq-priority-support.html

[67]

Dear mr Singh,

Thanks for your reply. Still I wonder in which way the software can be installed in a conda environment. It is not a problem to make use of the new software, but I rather made use of an existing channel. When I try to install the software manually in a conda environment, it rather seems the software is installed globally. So when the directory is specified like; /home/username/miniconda3/envs/env_name/opt/intel/oneapi, the software is installed in this directory. When I try to see if any package is installed in the conda environment, it does not show up. Also icc, icpc, icx, ifort, icpx, etc. are not located in this environment with for example a command like; which icx.

Do you have an idea how to install the software only in the current conda environment? For example with the installation from the old channel hcc::oneapi mentioned, this clearly shows up in the conda environment. This is also what I want to achieve right now with the new software.

I would like to hear from you and appreciate any help.

Kind regards