error with impi on centos7

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4:05:21 PM PDT - Wed, Apr 15th 2015
Zhanfei After looking at the files, I can see that you have applied the patch Tddft_grad.patch, but something went wrong in the patching operation (presence of tddft_grad_input.F.rej). A possible fix would be to take the patch out Anyhow, could you please send me the output of the command grep -i tddft_grad_defaults $NWCHEM_TOP/nwdft/lr_tddft_grad/F