Hello all,
I'm trying to compile a parallel version of siesta 4.1.5 with Intel compiler and MKL library, my system architecture is Intel Xeon CPU with Ubuntu 18.04 LTS os. I created my own arch.make file and run the "make -j30 | tee make.log", and got the siesta executable in Obj/ directory without errors. Run it via the direct command "siesta" and it would start normally, but it cannot accept any actual .fdf file. When I tried "make | tee test.log" in Obj/Tests/, it fails on the first test. (P.S. the MKL links are generated by Intel MKL Link Line Advisor) Could anyone help me with this? I've attached my arch.make file, make.log file and test.log file. Thanks! Li Jian Institute of Modern Physics, Chinese Academy of Sciences
make.log
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test.log
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arch.make
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-- SIESTA is supported by the Spanish Research Agency (AEI) and by the European H2020 MaX Centre of Excellence (http://www.max-centre.eu/)