AMBER Archive (2006)

Subject: Re: AMBER: SGI compiler problems

From: Roberto Gomperts (
Date: Wed Jun 21 2006 - 10:09:54 CDT

I agree with Atro. You have in all likelihood an old compiler with a bug
in the front-end. I can successfully build amber9 using your
configuration. The compiler I have currently installed is: MIPSpro
Compilers: Version 7.4.4m (from f90 -v)


Atro Tossavainen wrote:
> Pete,
> The question has been posed previously by Justin Sanders from Salem
> Int'l Uni on this mailing list. There hasn't been much of an answer
> so far so I'll try to pipe in:
>> f90 -c -n32 -mips4 -r10000 -O0 -o new2oldparm.o
>> _new2oldparm.f
>> f90: Error: -32 compilation not supported for ucode
> What does "f90 -v", or "versions ftn90_dev" say?
> I have a hunch that you might be overdue for a compiler update. The
> current release is, if I'm not mistaken, 7.4.4.
> On a side note, to S. Sundar Raman,
>> We would like to install AMBER9 in SGI FUEL system which has IRIX 6.5. We
>> would like to know the exact requirements (i.e. compiler with version and
>> hardware) to install amber9 in that system. Hence it will be easy for us
>> to order the required features from SGI.
> There is no reason to order anything else but the current versions of
> the compilers. You will need FORTRAN 90 to get AMBER anything to compile,
> and you will want the C/C++ compiler as well. There are no hardware
> specific packages in the software, it's the same software across the
> entire range of IRIX-compatible hardware. There are additional
> licensing options that allow you to benefit from autoparallelisation
> options, but for a single CPU machine such as the Fuel, you're not
> going to be interested in those. Just get the whole deal.
> Back to Pete:
>> So, what is the problem. I guess it does not care for the -n32 option
>> but I guess I've a couple of questions. First, why doesn't the
>> configure routine select the correct option (OK, so in a perfect world
>> it would and it doesn't so what can I do to help configure out).
> As you can see, the command is "-n32" but the error message says some-
> thing about "-32". "-32" would indicate attempting to compile for the
> old 32-bit ISA (pre IRIX 6.0), which is rather surprising given that
> the instructions all are asking for "-n32" which is the new 32-bit
> ISA introduced in IRIX 6.0 if I remember correctly. If there is a bug
> with the FORTRAN compiler environment, the first thing you need to check
> is the version you are currently using.
>> Second, how do I need to modify either the config.h file (reproduced
>> below) so I can compile amber 9.
> The config.h file looks all right.
>> Third, what is ucode.
> "man uopt" refers to "man ucode" which does not exist. I have filed
> a bug report with our local SGI office on this one...

	Roberto Gomperts		VNET:   483-8851
	One Cabot Road, Suite 290	Phone: (978) 562-8851
	Hudson, MA 01749		Fax:   (978) 562-7450

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