Restart on different machines: Reducing nspin is not possible

Axel akoh... at gmail.com
Thu Sep 29 16:58:15 CEST 2011



On Thursday, September 29, 2011 10:09:20 AM UTC-4, nadler wrote:
>
> I googled a little and found that the flag "-convert big_endian" does the 
> job, at least when using ifort on the Xeon system. When one uses gfortran 
> the flag would be "-fconvert=big/little-endian". I haven't tested it though. 
> The flag needs to be added to the FCFLAGS. Now I can use the wfn from the 
> Xeon system on the Power7 system and vice versa. Thank you again, Axel, for 
> pointing me in the right direction!


with gfortran you also have to pay attention to the -frecord-marker=LENGTH 
option.
some versions of gfortran use 8, some (older ones) use 4. 

with some compilers the endian conversion can also be restricted to specific
fortran i/o channels and/or triggered via environment variables. 

there is a chance that you get it to work, but no guarantee.

cheers,
     axel.
 

> Cheers,
> Roger
>
>
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