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 <[email protected]> > To: [email protected] > 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 -------- > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Paolo Giannozzi, Dept. Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222 _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
