AMBER Archive (2008)

Subject: Re: AMBER: PGI amber9 problems

From: Lorenzo Gontrani (l.gontrani_at_caspur.it)
Date: Fri May 16 2008 - 07:02:53 CDT

Dear all..

I fixed everything..the problem was that the configure script
(the command was "configure -nopar -opteron -verbose pgf90")
writes wrong compiler flags in config.h:

FFLAGS= -tp p7 (intel pentium 4)....instead of -tp x64 (opteron + Intel
IA32/EM64T). Also k8-32 would have been appopriate for an AMD (32 bit).

Thanks

Lorenzo

Alle 13:29, venerdì 16 maggio 2008, David A. Case ha scritto:
> On Fri, May 16, 2008, Lorenzo Gontrani wrote:
> > I am trying to compile amber9 on an opteron machine running linux sles10
> > SP1 with PGI 7.0-2.
> >
> > I get the following error messages when compiling:
> > >make serial
> > >Starting installation of Amber9 (serial) at Fri May 16 04:48:41 CDT
> > > 2008. cd lib; make install
> > >make[1]: Entering directory `/root/AMBER_INSTALL/amber9/src/lib'
> > >cpp -traditional -P new2oldparm.f > _new2oldparm.f
> > >pgf90 -c -tp p7 -O1 -v -V -Minfo=all -Minform=inform -Mneginfo -o
> > >new2oldparm.o _new2oldparm.f
> > >pgf90-Error-Please run makelocalrc to complete your installation
> > >
> > >pgf90 7.0-2 32-bit target on Linux
> > >Copyright 1989-2000, The Portland Group, Inc. All Rights Reserved.
> > >Copyright 2000-2007, STMicroelectronics, Inc. All Rights Reserved.
> > >make[1]: *** [new2oldparm.o] Error 1
> > >make[1]: Leaving directory `/root/AMBER_INSTALL/amber9/src/lib'
> > >make: *** [serial] Error 2
> >
> > I used the same PGI compilers to build other codes, such as MOLPRO.
> > I tried to run makelocalrc as suggested, but with no success
>
> The "new2oldparm.f" file is a very simple fortran program, and it is almost
> invariably true that problems with it reflect compiler problems, not
> problems with the amber codes. This seems to be what the message "please
> run ... to complete your installation" also means. Please double check
> that you can really compile fortran programs with your compiler.
>
> ...dac
>
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-- 
=======================================

Lorenzo Gontrani

CASPUR - http://www.caspur.it
Consorzio per le Applicazioni di Supercalcolo Per Università e Ricerca
via dei Tizii, 6 - 00185 Roma
Tel +39 06 44486812 
Fax +39 06 4957083 
GSM +39 338 7615798
Email l DOT gontrani AT caspur DOT it

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