Yes I suspect it's a compiler problem as the line is in fact exactly as you have sent. Of course we have not changed anything so the line is untouched. I will let you know.
Steve -----Original Message----- From: Siesta, Self-Consistent DFT LCAO program, http://www.uam.es/siesta [mailto:[EMAIL PROTECTED] On Behalf Of Toby White Sent: 16 February 2005 15:15 To: [email protected] Subject: Re: [SIESTA-L] coding I'm fairly sure it's not a coding error in siesta - have you edited the sources at all? And which version is this? - the line numbers don't match up with 1.3f1. My guess is that somehow the formatting has changed such that either a) the '.' which should be in the 6th column isn't any longer, so the compiler's not seeing the continuation line; or b) extra whitespace has been inserted such that one of the lines is now longer than 80 columns, and characters past that are being ignored so that the statement no longer makes sense. Either way - the lines themselves should look line this : (whitespace very important) write(line,'(7(1x,i1,a1,a1,f5.2,a1))') . (cnfigtb(l,nsm,is),sym(l),'(',qPAO(l,nsm),')', . nsm=1,nsemic(l)+1-(cnfigtb(l,nsemic(l)+1,is)-config(l))) write(6,'(a)') line This compiles with ifort 8.0.046_pe050.1 at least, and every other compiler I've tried. "s.bailey" <[EMAIL PROTECTED]> writes: > Dear All > Just a coding error I think and if not put me right. > > Been trying to get siesta to compile on the Viglen test machine. Note > sure if their compielr#s buggy, or it's just more strict than some > Fortran compilers, but I get the following error: > > giis% ifort -c atom.f > fortcom: Error: atom.f, line 4485: Unbalanced parentheses > . nsm=1,nsemic(l)+1-(cnfigtb(l,nsemic(l)+1,is)-config(l))) > --------------------------------------------------------------------^ > fortcom: Error: atom.f, line 4484: Syntax error, found ',' when > expecting one of: : > . (cnfigtb(l,nsm,is),sym(l),'(',qPAO(l,nsm),')', > ----------------------------------^ > fortcom: Error: atom.f, line 4484: Syntax error, found ''' when > expecting one of: ( * :: , <IDENTIFIER> <CHAR_CON_KIND_PARAM> > <CHAR_NAM_KIND_PARAM> <CHARACTER_CONSTANT> ... > . (cnfigtb(l,nsm,is),sym(l),'(',qPAO(l,nsm),')', > ----------------------------------------------------------^ > compilation aborted for atom.f (code 1) > > The source of the problem seems to be the middle of those three errors. > Unfortunately, my fortran's not good enough to fix this kind of thing. > Any suggestions on possible alternatives? > > write(line,'(7(1x,i1,a1,a1,f5.2,a1))') > . (cnfigtb(l,nsm,is),sym(l),'(',qPAO(l,nsm),')', > . nsm=1,nsemic(l)+1-(cnfigtb(l,nsemic(l)+1,is)-config(l))) > I guess we could just comment this out or just include the write > write(line,'(7(1x,i1,a1,a1,f5.2,a1))') > . (cnfigtb(l,nsm,is),sym(l),'(',qPAO(l,nsm),')') > > > > Dr. Steve. Bailey. > Lancs. & Cumb. IoP Branch Secretary. > Department of Physics, > Lancaster University, > Lancaster, LA14YB, UK. > [EMAIL PROTECTED] > Tel 01524592844 > Fax (01524)844037 > -- Dr. Toby White Dept. of Earth Sciences, Downing Street, Cambridge CB2 3EQ. UK Email: <[EMAIL PROTECTED]> Tel: +44 1223 333409 Fax: +44 1223 333450
