On Tuesday 27 June 2006 16:44, Jo Shields wrote:
> Francesco Pietra wrote:
> >>> However, I do not understand whether dft, like nevpt is only
> >>> distributed in cvs version. In that case I can do nothing.
> >
> > I have been informed that dft allow parallelization, so that it is
> > interesting
Francesco Pietra wrote:
However, I do not understand whether dft, like nevpt is only distributed
in cvs version. In that case I can do nothing.
I have been informed that dft allow parallelization, so that it is interesting
to go on.
Hi Jo: I have also been indicated - by people who pro
On Tuesday 27 June 2006 12:00, Jo Shields wrote:
> Francesco Pietra wrote:
> > I was just trying to compile dalton-2.0, not gamess, and I absolutely
> > need parallelization for dft calculations. Serial installation would not
> > allow me to deal with the large molecules of my interest.
> >
> > On
Francesco Pietra wrote:
I was just trying to compile dalton-2.0, not gamess, and I absolutely need
parallelization for dft calculations. Serial installation would not allow me
to deal with the large molecules of my interest.
On Tuesday 27 June 2006 10:18, Stefano Simonucci wrote:
On Tue, 2
I was just trying to compile dalton-2.0, not gamess, and I absolutely need
parallelization for dft calculations. Serial installation would not allow me
to deal with the large molecules of my interest.
On Tuesday 27 June 2006 10:18, Stefano Simonucci wrote:
> On Tue, 2006-06-27 at 07:16 +0200, Fr
On Tue, 2006-06-27 at 07:16 +0200, Francesco Pietra wrote:
> Stefano, accepting your experience I started preparing Makefile.config
> indicaring g77 for Fortran and gcc for C (I am at amd64 debian etch, parallel
> machine dual opteron) yesterday I went on obtaining successfully
> makefile.confi
On Monday 26 June 2006 19:46, Stefano Simonucci wrote:
> On Mon, 2006-06-26 at 16:14 +0100, Jo Shields wrote:
> > We make extensive use of Portland, Intel and GNU compilers (both C and
> > Fortran) at work - all of them work fine, and there are certainly no
> > issues with G77 on AMD64. That said,
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