[gmx-users] gromacs invsqrt() overlaps with icc invsqrt()

[Tsjerk Wassenaar]

wing procedure:
>>
>> #########################
>> #!/bin/bash
>> for i in `find ./gromacs-4.0.4`; do
>>  sed 's/invsqrt/invSAFEsqrt/g' "$i" > tmp;
>>  mv tmp "$i";
>> done
>> chmod +x ./gromacs-4.0.4/configure
>
> Using sed -i is a bit more elegant and keeps the permissions, IIRC.
>

Correct. You can also drop the for loop and do:

sed -i s/invsqrt/invSAFEsqrt/g `find ./gromacs-4.0.4`

or even

find ./gromacs-4.0.4 -type f -exec sed -i s/invsqrt/invSAFEsqrt/g {};

Cheers,

Tsjerk


-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623