Compiling cluster DFT example with vendor MPI library

Compiling cluster DFT example with vendor MPI library

Hi,

I am trying to run the cluster DFT examples under $(MKL_INSTALL_DIR)/examples/cdftc using the vendor MPI library on my system (an SGI Altix machine, with the Message Passing Toolkit).

The MKL documentation (page 11-48) seems to indicate the I should be able to plug in a custom version of MPI and BLACS during compile time and run it without problem. However, I am unable to determine the right compile and link options. Here is what seems to compile, but crashes at runtime (LD_LIBRARY_PATH is not set)

gcc -Wall -I/opt/intel/cmkl/8.0.1/include test.c -L/opt/intel/cmkl/8.0.1/lib/64 -lmkl_dft_cluster -lmkl_blacs_intelmpi20 -lmkl_ipf -lguide -lpthread -L /usr/lib -lm -lmpi -o test.exe

I suspect the problem is because of the mkl_blacs_intelmpi20 option, but passing in the corresponding SGI library (libsdsm and libscs) results in unresolved link errors.

Is there anything I am missing? Thanks in advance.

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