[molpro-user] RE: Molpro 2002.6 on Altix Itanium 2/Problem with Molcas angular.f

[Ross Nobes]

An alternative workaround for this problem is to add the '-n' flag to ctn_front when makedepend is built. In utilities/GNUmakefile, the section to build makedepend would then be

makedepend:     makedepend.c
        @(. ../CONFIG_FRONT; PATH=../bin:$$PATH; export PATH;\
        ctn_front -n -o $@ $@.c ;\
        )

Best wishes,
Ross

> -----Original Message-----
> From: Morimoto Kenji [mailto:morimoto at hpc.co.jp]
> Sent: 01 September 2005 01:10
> To: molpro-user at molpro.net
> Cc: Ross Nobes; Jacek Klos
> Subject: Re: [molpro-user] RE: Molpro 2002.6 on Altix Itanium 2/Problem
> with Molcas angular.f
> 
> Hi,
> 
> To prevent this problem, I used to make makedepend wih gcc
> by the command 'gcc -o makedepend makedepend.c' in the
> 'utilities' directory in advance.
> 
> regards
> 
> 
> Ross Nobes wrote:
> > Dear Jacek,
> >
> > Please note that the two Douglas-Kroll test jobs (ar2_dk_dummy and
> > sf6_dk) fail when the Intel 9.0 compilers are used. Also, as you pointed
> > out in your earlier mail, 'makedepend' does not work correctly when
> > built with the 9.0 C compiler.
> >
> > Best wishes,
> > Ross
> >
> >
> >>-----Original Message-----
> >>From: Jacek Klos [mailto:jakl at tiger.chem.uw.edu.pl]
> >>Sent: 31 August 2005 13:56
> >>To: molpro-user at molpro.net
> >>Cc: Ross Nobes
> >>Subject: Re: Molpro 2002.6 on Altix Itanium 2/Problem with Molcas
> >>angular.f
> >>
> >>Dear Ross,
> >>Thank you very much. Indeed, changing -O2 optimization to -O1
> >>for compilation of angular.f automagically worked! Now molpro 2002.6
> >>linked with no problems.
> >>I tried changing to -O3 and remove -O option altogether but didnt try
> >>out -O1. Thanks for this hint.
> >>Best regards
> >>
> >>Jacek A. Klos
> >>---------------------------------
> >>Quantum Chemistry Laboratory     |
> >>Department of Chemistry          |
> >>University of Warsaw             |
> >>Pasteura 1 Street                |
> >>02-093 Warsaw                    |
> >>Poland                           |
> >>(+4822)8220211 ext. 213          |
> >>e-mail: jakl at tiger.chem.uw.edu.pl|
> >>---------------------------------
> >
> >
> 
> 
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