[Pw_forum] test scf-ncpp failed

[Angelo Peronio]

Dear QE users,

I compiled QE 4.3.1 and run the check.pw.x.j script. I found what seems to
me a noticeable difference between the reference results and mine in the
test named scf-ncpp. Here is the output:

angelo at angelo-XPS-L501X ~/espresso/tests $ ./check-pw-mod scf-ncpp.in 
Checking scf-ncpp...discrepancy in total energy detected
Reference:   -15.839765, You got:   -11.827850
discrepancy in pressure detected
Reference: -54.09, You got: 526.54
Total wall time (s) spent in this run:  0.17
Reference                            :  0.13

I get similar results
 * on my laptop: Intel i7, Linux Mint 10, ifort 12.0.4.191, MKL 10.3
update 2, openmpi 1.4.3, compiled with -D__FFTW3 in DFLAGS to (in my
understanding) link against MKL FFTW interface;
 * again on my laptop with a serial compilation and -D__FFTW to link
against QE internal FFTW;
 * on a Mac with gfortran;
 * on the QE 4.3.1 pre-built on CINECA's SP6 machine.

Is there a problem with the reference results or am I missing something
fundamental?

Regards,
Angelo
-- 
_____________________
Angelo Peronio
IOM CNR laboratorio TASC
AREA Science Park, edificio MM
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34149 Basovizza (TS)
Italy

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e-mail:     peronio at tasc.infm.it