From NWChem
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| 5:37:28 AM PDT - Mon, Nov 1st 2010 |
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It is difficult but possible to build nwchem with MKL. However, You may not be going down the same path as I. First building mpich2 with ifort using FC=ifort.
Then using ifort indirectly by using the compiler wrappers with FC=mpif90 .
In my case mpich2 is installed at /usr/local/mpich2-ifort so I created a local file: /etc/ld.so.conf.d/mpich2-local.conf containing:
/usr/local/mpich2-ifort/lib
/usr/local/mpich2-ifort/lib/trace_rlog
Then Ld Config . Somehow this system blocks me from posting more so
here
is the script.
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