Dear Eyvaz and all, Yes, but essl is supposed to have all the math lib functions. LIBS="-lessl -L/usr/lib -llapack" does not work on our machine, as there is no liblapack.a file in the folder.
Is there any way to solve this problem? Thanks and best regards, LIU, LEI -----Original Message----- From: pw_forum-admin at pwscf.org [mailto:[email protected]] On Behalf Of Eyvaz Isaev Sent: Thursday, May 05, 2005 7:38 PM To: pw_forum at pwscf.org Subject: Re: [Pw_forum] compiling problems of espresso-2.1.3 on IBM-rs6000??? Hi Liu, It is a famous problem, and explained by Paolo why it happens. So, if you use LAPACK library ftom IBM, then put first -llapack flag. If you use MYLIB=blas_and_lapack then put $(LIBOBJS) before $(LIBS). I would like also say thanks to the Espresso team who managed to get a working Configure on IBM SP computers. Best regards, Eyvaz. --- Liu Lei <phyliul at nus.edu.sg> wrote: > Dear all, > > > > I try to compile espresso-2.1.3 on IBM-rs6000, using > "./configure > --disable-parallel" > > > > > > And then I try example07. > > The scf and nscf with pw.x is ok, but ph.x refused > to work. > > Here is error message of al.ph.out > > " > > bash-2.05a$ more al.ph.out > > > > Program PHONON v.2.1.3 starts ... > > Today is 5May2005 at 16:11:29 > > > > Ultrasoft (Vanderbilt) Pseudopotentials > > > > Reading file al.save ... > > read complete > > > > Reading file al.save ... > > read complete > > > > nbndx = 6 nbnd = 6 natomwfc = > 9 npwx = 125 > > nelec = 3.00 nkb = 4 ngl = > 33 > > ** ON ENTRY TO ZHPEV PARAMETER NUMBER 1 HAD AN > ILLEGAL VALUE > > " > > Does anyone know what happened here, and help me > kindly? > > > > > > Regards, > > > > LIU, LEI > > > > > > Discover Yahoo! Stay in touch with email, IM, photo sharing and more. Check it out! http://discover.yahoo.com/stayintouch.html _______________________________________________ Pw_forum mailing list Pw_forum at pwscf.org http://www.democritos.it/mailman/listinfo/pw_forum
