Compilation Error on Fedora 23 with Intel 16.1 & intel MKL

Dear friends,

I am trying to compile psi4 on Fedora 23 with Intel compilers and MKL.
However, it gives following error. What’s wrong with my compiling?

Please find the log file and compilation notes from following link.


Is the boost python compiled with the python you are pointing to? If your not sure, you can set BUILD_CUSTOM_BOOST=on in the configure script to force a BOOST build.

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Sahan, I concur with @dgasmith– for first compile use the internal tarball boost as it’s always safest.

It doesn’t seem to be a problem, but you probably don’t need the elaborate mkl directives. Provided the module loads do the equivalent of the Intel “source”, the simple, quick setup line below should pick up intel compilers and mkl.

setup --cc icc --cxx icpc --fc ifort --type release --plugins on --prefix /install/psi4/here --max-am-eri 4 --chemps2 off --pcmsolver off
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Hi @dgasmith and @loriab,

I have compiled again with the suggestions provided, however it still failing.

Please find the log file form following link.


It still looks like your linking to a boost, please compile with exactly this line:

setup --cc icc --cxx icpc --fc ifort --type release --plugins on --prefix /install/psi4/here --max-am-eri 4 --chemps2 off --pcmsolver off -DBUILD_CUSTOM_BOOST=on

Please note this is a very quickly build, you will likely want to bump max-am-eri to 5-6 for a production code.