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

[Ross Nobes]

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          |
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> 02-093 Warsaw                    |
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> e-mail: jakl at tiger.chem.uw.edu.pl|
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