[Pw_forum] supercell calculations with matdyn

merlin meheut meheut at impmc.jussieu.fr
Tue Jan 20 21:58:28 CET 2009


Hi Paolo,

thanks a lot for looking at it!
I am trying to look at it myself right now.

Actually, I was not very accurate in my first mail: the output I  
mentionned was obtained with dos=.true.
with dos=.false., which I can use, the error is different:

--------------------------------------------
At line 289 of file matdyn.f90
Fortran runtime error: End of file
------------------------------------------

At first sight, it seems less important.

Best regards,

Merlin Meheut
ESS Department at UCLA


Quoting giannozz at democritos.it:

> Quoting merlin meheut <meheut at impmc.jussieu.fr>:
>
>> I would like to use the supercell calculation with matdyn.x
>
> I am afraid it hasn't been used since years. Anyway: gfortran
> is not very stable and cannot be trusted for bug reports. I'll
> try to figure out if it is a bug.
>
>> LDFLAGS= (...) -bmaxdata:1024000
>
> this is for IBM xlf and has nothing to do with your problem
>
> Paolo
>
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Merlin Méheut
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