From owner-chemistry@ccl.net Tue May 2 12:42:01 2006 From: "andras.borosy.:.givaudan.com" To: CCL Subject: CCL:G: PQS ab initio Message-Id: <-31656-060502114034-10106-wFg8JQggROeJHogp6+mtQA^server.ccl.net> X-Original-From: andras.borosy _ givaudan.com Content-Type: multipart/alternative; boundary="=_alternative 004DD5E5C1257162_=" Date: Tue, 2 May 2006 16:10:02 +0200 MIME-Version: 1.0 Sent to CCL by: andras.borosy ~~ givaudan.com This is a multipart message in MIME format. --=_alternative 004DD5E5C1257162_= Content-Type: text/plain; charset="US-ASCII" > Sent to CCL by: "Jim Kress" [ccl_nospam%%kressworks.com] > It's a violation of the (absurd) Gaussian license to perform such a > comparison. If one does such a comparison they will be banned by Gaussian > > from using their software. > > http://www.bannedbygaussian.org/ Which shows that one must not buy Gaussian at all. There are some benchmarks of PQS computations: http://www.pqs-chem.com/benchmarks.shtml Regards, Andras Borosy > > > -----Original Message----- > > From: Debasis Sengupta dxs%%cfdrc.com > > [mailto:owner-chemistry---ccl.net] > > Sent: Friday, April 28, 2006 3:49 PM > > To: Kress, Jim > > Subject: CCL:G: PQS ab initio > > > > Sent to CCL by: Debasis Sengupta [dxs]=[cfdrc.com] Hi, I was > > wondering if anybody has performed any benchmark test on the > > speed of Gaussian 03 and PQS ab initio software (both serial > > and parallel). > > Also I am interested in knowing the experience with PQS from > > those who have used it for a while. > > Thanks > > Debasis > > > > > > > > -= This is automatically added to each message by the mailing > > script =- To recover the email address of the author of the > > message, please change the strange characters on the top line > > to the --- sign. You can also look up the X-Original-From: line > > in the mail header.> Conferences: > > http://server.ccl.net/chemistry/announcements/conferences/ > > > > Search Messages: http://www.ccl.net/htdig (login: ccl, > > Password: search)> > > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > -+-+-+-+-+> > --=_alternative 004DD5E5C1257162_= Content-Type: text/html; charset="US-ASCII"



> Sent to CCL by: "Jim Kress" [ccl_nospam%%kressworks.com]
> It's a violation of the (absurd) Gaussian license to perform such a
> comparison.  If one does such a comparison they will be banned by Gaussian
> > from using their software.
>
> http://www.bannedbygaussian.org/

Which shows that one must not buy Gaussian at all.

There are some benchmarks of PQS computations:

http://www.pqs-chem.com/benchmarks.shtml
Regards,

Andras Borosy

>
> > -----Original Message-----
> > From: Debasis Sengupta dxs%%cfdrc.com
> > [mailto:owner-chemistry---ccl.net]
> > Sent: Friday, April 28, 2006 3:49 PM
> > To: Kress, Jim
> > Subject: CCL:G: PQS ab initio
> >
> > Sent to CCL by: Debasis Sengupta [dxs]=[cfdrc.com] Hi, I was
> > wondering if anybody has performed any benchmark test on the
> > speed of Gaussian 03 and PQS ab initio software (both serial
> > and parallel).
> > Also I am interested in knowing the experience with PQS from
> > those who have used it for a while.
> > Thanks
> > Debasis
> >
> >
> >
> > -= This is automatically added to each message by the mailing
> > script =- To recover the email address of the author of the
> > message, please change the strange characters on the top line
> > to the --- sign. You can also look up the X-Original-From: line
> > in the mail header.> Conferences:
> > http://server.ccl.net/chemistry/announcements/conferences/
> >
> > Search Messages: http://www.ccl.net/htdig  (login: ccl,
> > Password: search)>
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