| 10:37:01 AM PST - Mon, Nov 19th 2012 |
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Hi Chaitanya,
I think the answer is that setting some environment variables by itself is not enough. The environment variable USE_64TO32 only controls whether a library with wrapper routines is compiled or not. It does not ensure that the code is actually going to use those wrappers. To ensure the latter you will need to do an extra step in your compilation. So the general sequence of make commands becomes:
make nwchem_config
make 64_to_32
make
Of course you still need to provide whatever flags you usually provide make with, but the extra "make 64_to_32" step is crucial. That step converts all BLAS and LAPACK calls to calling the wrapper library.
I hope this helps,
Huub
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