Restart on different machines: Reducing nspin is not possible

Axel akoh... at
Thu Sep 29 14:58:15 UTC 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 
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,
> Roger
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list