Hi Ben,

On 14/09/15 19:57, McGough, Benjamin E wrote:
Hi. I am beginning to use EasyBuild and have built a few easyconfigs 
successfully.

My current situation is that I have licenses for the Intel C++ and Fortran 
compilers, but not imkl and impi.

I assume if I want to exclude imkl and replace impi with OpenMPI, I will need 
to implement a new toolchain - is that right? I've played around with some of 
the '--try' options but didn't see anything that might address toolchain 
modification.

As Jack already mentioned, iompi is a good starting point (but doesn't include the BLAS/LAPACK/FFTW part to make it a 'full' toolchain).

A fairly decent (but perhaps somewhat outdated) 'tutorial' on composing new toolchains is available at https://github.com/hpcugent/easybuild/wiki/Compiler-toolchains .

As long as you limit yourself to slapping together existing toolchain components (my suggestion would be to go for Intel compilers + OpenMPI + OpenBLAS + FFTW), you should be in for a fairly smooth ride (since the EB framework will take care of the hard part), provided that you don't run into any surprises when building OpenBLAS with Intel compilers (we've done it before, should be fine).

Make sure you make --include-toolchains what it was intended for (see http://easybuild.readthedocs.org/en/latest/Including_additional_Python_modules.html#include-toolchains).

That being said: there's actually a free version of Intel MKL available too, see https://software.intel.com/sites/campaigns/nest/. Only for MKL (+ compilers) though, not Intel MPI, and I'm sure there are some restrictions in place too w.r.t. allowed usage.

Do you think such a toolchain would be useful to the community?

I think it certainly would, I'm sure there are others in the same boat as you are.

Let us know if you need any help!


regards,

Kenneth

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