[Pw_forum] Fw: Re: discrepancy in tests

[Paolo Giannozzi]

On Sat, 2015-03-21 at 12:09 +0900, ＷＡＮＧ ＹＵＡＮＱＩＮＧ wrote:

> The compiler seems the following [...]

gfortran. There is actually a version of gcc (4.4.7 if I remember
correctly) that is found in some well-known Linux distributions,
especially on PC clusters, whose gfortran yields wrong forces in 
test lda+U_forces.in.

Paolo

>   However, the good news is that the calculation center has the Quantum Espresso already. So, I do not need to compile by myself now.
> 
> Best regards,
> 
> Yuanqing Wang
> 
>  
> ----------- Original Message ------------
> Subject: Re: [Pw_forum] discrepancy in tests
> Date: Tue, 03 Mar 2015 18:45:03 +0900
> From: ＷＡＮＧ ＹＵＡＮＱＩＮＧ <yuanqing.wang at riken.jp>
> To: pw_forum at pwscf.org
> Cc: 
> 
> Dear all,
> 
> I have attached the output file. Hope you can help me with advice. Thanks!
> 
> BTW, I compiled the newest version (5.1.2), and the same problem occurs. So, the problem comes from the lib bug??
> 
> Best, 
> 
> Yuanqing Wang 
> -------- End of Original Message --------
> 
> 
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-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222