On Friday 30 June 2006 12:01, Jo Shields wrote: > Giacomo Mulas wrote: > > On Fri, 30 Jun 2006, Francesco Pietra wrote: > >> Configure (amd64 debian etch dual opteron, installed g77 and gcc) > >> requests > >> (among other libs that I have found) > >> > >> libacml.a (the amd core math lib) > >> > >> #apt-file search libacml* > >> > >> is not informative. > >> > >> Is that necessasy (64bit) lib available from debian or should I > >> install a > >> different Fortran compiler? > > > > ACML is an optimised, proprietary math library by AMD, and is > > available free > > of charge from their web site. By the way, since you are apparently doing > > heavy linear algebra calculations, you may want to check also the GOTO > > library (I don't remember the URL, google for GOTO blas lapack library > > and > > you will find it). It's a hand-tuned linear algebra library which can > > give > > an appreciable boost, especially on opterons. > > > > Have fun, and please keep me informed on your progress with mpqc: I do > > heavy > > quantum chemical calculations myself, although I currently mostly (ab)use > > NWChem and Gaussian, and I'm interested in comparing that with mpqc (I > > never > > tried it yet). > > > > Bye > > Giacomo > > Bear in mind, however, that the Gaussian license does not allow > comparisons with other software, which can lead to your license being > revoked for your entire site. See bannedbygaussian.org
Back for a moment to this observation. I have not read the license because I am not going to turn to this software. However, if the situation is that described above, are the scientific and ethical rules set forth by any scientific society fully complied? I mean, can a paper be accepted for publication when substantial evidence is based on that software? francesco pietra -- To UNSUBSCRIBE, email to [EMAIL PROTECTED] with a subject of "unsubscribe". Trouble? Contact [EMAIL PROTECTED]
