Compiling NWCHEM on Centos6.1 openmpi1.6 ifort icc
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4:53:23 PM PST - Thu, Nov 15th 2012
Hi Edo,
The compilation process is attached here,
https://www.dropbox.com/s/lqmf5mvgkxc336i/addO1debug.log
And the run result of DNA example is
https://www.dropbox.com/s/nv6hpunnup3r14o/runadddrbug.log
ldd nwchem gives similar output as what I posted above but different addresses.
It doesn't seem to work. Is there anything I can do to double check the reason why it failed?
Many thanks,
Alvyn