AMBER Archive (2008)

Subject: Re: AMBER: XLF problem in compiling AMBER8 on IBM PPC64 SUSE

From: liu junjun (ljjlp03_at_gmail.com)
Date: Tue Sep 30 2008 - 13:48:11 CDT

Hello Ross,

I tried xlf90_suse at the begining, but I found the generated config.h
use ifc as the compiler, which is not available on our IBM PPC64
machine. That's why I gave up ./configure xlf90_suse. Any other idea?

Thanks!

Junjun

On 9/30/08, Ross Walker <ross_at_rosswalker.co.uk> wrote:
> Hi Junjun,
>
> Your operating system is NOT AIX hence you shouldn't be choosing the xlf_aix
> target.
>
> Try:
>
> xlf90_suse
>
> Good luck,
>
> Ross
>
>
> > -----Original Message-----
> > From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
> > Of liu junjun
> > Sent: Tuesday, September 30, 2008 11:07 AM
> > To: amber_at_scripps.edu
> > Subject: AMBER: XLF problem in compiling AMBER8 on IBM PPC64 SUSE
> >
> > Hello everyone,
> >
> > I got some problem when compiling AMBER8 on IBM ppc64 machine. The OS
> > is "SUSE LINUX Enterprise Server 9 (ppc)", the compiler is XLF. Intel
> > compiler is not available on this machine(so can't use ./configure
> > xlf90_suse). Here's how I did:
> >
> > 1). ./configure xlf90_aix
> > 2). make clean ; make serial
> > it exists when compiling ene.f in sander directory with the following
> > error:
> > ======
> > "_ene.f", line 1896.31: 1513-041 (S) Arguments of the wrong type were
> > specified for the INTRINSIC procedure "max".
> > "_ene.f", line 1897.30: 1513-041 (S) Arguments of the wrong type were
> > specified for the INTRINSIC procedure "min".
> > ======
> > The corresponding lines in _ene.f are as follows:
> > ct1 = max ( -0.999, ct0 )
> > ct2 = min ( 0.999, ct1)
> > It seems XLF doesn't like ct0 or ct1 as the argument to max() or
> > min(). The compilation on _ene.f with XLF went through if arguments
> > were changed like this:
> > ct1 = max ( -0.999, 0.1 )
> > ct2 = min ( 0.999, 0.1)
> >
> > ct0 and ct1 are defined as double precision, I don't understand why
> > XLF doesn't like a double precision variable being the argument to
> > max() or min(). Can somone please help?
> >
> > Thanks!
> >
> > Junjun Liu
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