[Pw_forum] Problems in running check-pw.x.j

[Carlo Nervi]

Hi Paolo, hello community... your experience could be of great help:
I also tried to use check-pw.x.j on QE 4.3.2. First I did not use 
mpirun: it passed with 1-2 not significant numerical discrepancy.

By using "mpirun -n 2" more discrepancies appears (sometimes very 
different number of iterations, i.e. 86 instead of 57 in lda+U_gamma test).

By using "mpirun -n 48" it crash at dipole calculation. Too fast for 48 
cores?

Up to now I used pw.x "apparently" without problems, but...should I be 
worried?

QE was compiled with gfortran 4.6.1 and acml 5.0.0 (libacml.a and 
libacml_mv.a) and with amdlibm 3.0.1

Thanks,
	Carlo

Il 26/03/2012 18.42, Paolo Giannozzi ha scritto:
> On Mon, 2012-03-26 at 18:18 +0530, Abhinav 122 wrote:
>
>> I received the following error during check-pw.x.j.
>> Please suggest the required steps to remove the following errors.
>
> most likely, your compiler is buggy.
>
> P.


-- 
------------------------------------------------------------
Prof. Carlo Nervi carlo.nervi at unito.it  Tel:+39 0116707507/8
Fax: +39 0116707855      -      Dipartimento di Chimica, via
P. Giuria 7, 10125 Torino, Italy.    http://lem.ch.unito.it/