| 12:33:47 AM PST - Mon, Nov 10th 2014 |
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Dear All,
I am running NWChem.6.5 on Mazama Tue Feb 21 03:35:44 CST 2012 on hssbld4 by bwdev lsb-cray-mazama-6.0.0
SUSE Linux Enterprise Server 11 (x86_64)
VERSION = 11. While running the CPHF module for analytic frequency calculation, the run terminates without any error while calculation of hessian 2e 2nd derivative step. However, I can successfully compute the frequencies with same input in workstations of arch x86_64; Ubuntu 12.04.4 LTS , Precise Pangolin after allocating 5000 mb total memory. I would be grateful if someone can suggest where things are getting wrong. Thanks in advance.
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