| 2:41:14 PM PDT - Wed, May 20th 2015 |
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I can see that the undefined references are of the kind "ygemm_".
This kind of failures is not directly related to the MKL detection in the tools autoconf.
Instead, the source you are using was once processed with the command
make 64_to_32
The other issue I can see from your log is that you are using 64-bit integers for MKL (both blas and scalapack),
but you have not defined SCALAPACK_SIZE=8.
I am suggesting you to do the following:
1) set the following three env. variables
export SCALAPACK_SIZE=8
export BLAS_SIZE=8
export USE_64TO32=y
(the second export is not strictly necessary, since 8 it is the default value)
3) recompile the tools by executing the following commands
cd $NWCHEM_TOP/src/tools
rm -rf build install
make FC=ifort
4) relink by executing the following commands
cd $NWCHEM_TOP/src
make FC=ifort link
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