AMBER Archive (2009)

Subject: Re: [AMBER] Test run on Solaris 10 X 86

From: Atro Tossavainen (
Date: Mon Feb 02 2009 - 17:06:49 CST

> I was not sure of how to use those compilers with amber.

configure_amber sparc

(although this is not strictly speaking appropriate as yours is not a
 SPARC box but the compiler options for Sun Studio on SPARC and Sun
 Studio on x86(_64) are remarkably similar, surprisingly enough, so
 it should be a decent starting point)

> The sun studio has suncc, sunf77, sunf90, sunf95 and so forth.

It ought to have just cc, f77, f90, f95 and so forth without any prefixes
at all. At least here it does.

NB I've only got Solaris on SPARC, haven't bothered with the x86 kind so far.

> There are many compilers in it. With these many compilers, which one
> should be used with the configure option ?

Regarding AMBER itself:

You can't compile FORTRAN code with cc, and you can't compile AMBER
without a FORTRAN-90 capable compiler. On Studio 11 at least, f95
is just a link to f90. That leaves you with exactly one compiler
that will compile the main body of AMBER.

Regarding AmberTools:

The configuration option solaris_cc picks the right C and FORTRAN
compilers and options for you on both Solaris x86 and Solaris SPARC.

In general:

AMBER's configure scripts have been written to take into account whatever
any particular vendor calls their compilers. The default in configure_amber
is, for example, to use whatever "f90" leads to on any given system UNLESS
explicitly configured otherwise.

> I can comprehend on the fact that ambertools has an option for solariscc. So perhaps I can place a symbolic link for suncc with solariscc. ( I tried but it didn't work )

Maybe you can post the error messages you get rather than just vaguely
say "it didn't work" if you want help.

> But for amber10, when I looked in for help, I am not able to see which compiler is actually refering to any of the compilers in sunstudio. There are options like ifort, pgf95...

configure_amber sparc

I can appreciate the fact that everybody must be a newbie at least
once, but being able to post the explicit error messages you receive
rather than "it doesn't work!!!" is not related to being a newbie.

Atro Tossavainen (Mr.)               / The Institute of Biotechnology at
Systems Analyst, Techno-Amish &     / the University of Helsinki, Finland,
+358-9-19158939  UNIX Dinosaur     / employs me, but my opinions are my own.
< URL : http : / / www . helsinki . fi / %7E atossava / > NO FILE ATTACHMENTS

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