Re: AMBER: Problem amber8 compilation in Opteron(Linux) with PGI-workstation compiler

From: Jiten <jiten.postech.ac.kr>
Date: Tue, 13 Jul 2004 18:46:57 +0900

----- Original Message -----
From: "Scott Brozell" <sbrozell.scripps.edu>
To: <amber.scripps.edu>
Sent: Tuesday, July 13, 2004 3:30 AM
Subject: RE: AMBER: Problem amber8 compilation in Opteron(Linux) with
PGI-workstation compiler


> dac> ./configure -opteron -verbose -big pgf90
> dac> Don't use the -big option, until you have tried everything without
this
> dac> option. I don't think it really works, or indeed in necessary.
>
> The idea of -big is to create executables that can access more than
> 2^32 bytes of memory. If you do not need that much address space then
> even on a 64 bit machine you do not need -big.
> Indeed -big may have a performance penalty.
>
> When we had an opteron at Scripps in Aug 2003 we had troubles building
> Charmm and Amber. But ultimately sander was built with
> configure -opteron -big pgf90 and configure -opteron pgf90.
>
> I do not have an opteron now, but I do not notice any glaring
> problems in the pgf90 section of configure.
>
> On Sun, 11 Jul 2004, Mark Williamson wrote:
> > ./configure -opteron -verbose pgf90
> >
> > [root.e01 root]# pgf90 -V
> > pgf90 5.1-6
> > pgf90 -c -tp k8-32 -O -v -V -Minfo=all -Minform=inform -Mneginfo -o
new2oldparm.o _new2oldparm.f
> > pgf90-Error--tp k8-32 not supported in this
installation//usr/pgi/linux86/5.1/bin
> >
> > I'm assuming the error has occurred because I've only got the 64bit
> > compiler installed.
>
> pgf90 5.1-3 did not complain about -tp k8-32 when used on a pentium IV.
>
> > Now, why was configure using k8-32?
>
> because the default build size for amber is 32 bit regardless of the
> default word size of the architecture.
>
> > Surely this will only produce 32bit code?
>
> hopefully, since that is the intention.
>
> > In fact, there is no reference to k8-64 (AMD K8 Processor 64-bit mode)
> > in the configure script:
>
> again that is intentional because according to the pgf90 man page :
> The default in the absence of the -tp flag is
> to compile for type of CPU on which the compiler is
running.
> So one only gets k8-64 when one builds on an opteron; this should be
changed
> if one wants to do cross compilation, but my advice is 'builder beware'.
>
> > No idea why, but replacing every instance of k8-32 with k8-64 in the
> > config.h (from ./configure -opteron -verbose pgf90) produced a good
build!
>
> This seems reasonable to me, but I have not been following every nuance
> of this thread to know if you are implying some contradiction.
>
>
> Jiten> Another problem I face after the compilation is that xleap seg
faults.
>
> xleap and tleap may not be 64 bit clean.
> Build leap for 32 bit, ie, without -big.
>
> Scott Brozell
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber.scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
>
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Tue Jul 13 2004 - 10:53:01 PDT
Custom Search