AMBER Archive (2008)

Subject: RE: AMBER: Building ppc64 AMBER10 with xlf fortran 11.1

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Tue Jun 03 2008 - 15:43:43 CDT

Hi Jarrod,

Can you send me the updated gcg10.shf file that you used and then perhaps we
can post it as a bugfix.

All the best
Ross

> -----Original Message-----
> From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
> Of Jarrod Smith
> Sent: Tuesday, June 03, 2008 12:30 PM
> To: amber_at_scripps.edu
> Subject: Re: AMBER: Building ppc64 AMBER10 with xlf fortran 11.1
>
> David A. Case wrote:
>
> > A trivial thing is that the gcg10.shf still has "&end" at its end.
> > It could
> > be that just changing this to "/" would fix the problem. Otherwise,
> > I don't
> > see what the problem is.
>
> After some trial and error I found that XLF 11.1 will not accept
> whitespace inside namelist array indices.
>
> I also had to change the &end to "/" as you suggested.
>
> After making the above changes to gcg10.shf, these calcs are working
> fine on PPC64.
>
> Thanks!
>
> --
> Jarrod A. Smith, Ph.D.
> Asst. Director, Center for Structural Biology
> Research Assoc. Professor, Biochemistry
> Vanderbilt University
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
> to majordomo_at_scripps.edu

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)
      to majordomo_at_scripps.edu