AMBER Archive (2008)

Subject: Re: AMBER: AMBER 8 problems on RHEL4/Opteron/PGF 7.0-7

From: Atro Tossavainen (
Date: Wed Feb 13 2008 - 14:27:29 CST


thanks for the quick reply.

> Unfortunately AMBER 8 was released before all the complications of x86 vs
> x86_64 came about and thus it does not deal well with such architectures.

Oh. Now that you mention it, I think I should have remembered it
from past discussion on the list...?

> One option would be to edit $AMBERHOME/src/config.h and add
> "-tp k8-32" to the CFLAGS line.

Er, it's there already. I wouldn't have known to add that flag if I
hadn't already seen it show up in every other compilation instruction
and wondered why it wasn't there in the pgcc line. It is in src/config.h
already, and if I look at src/configure to try to find out where it
came from, it's right there on lines 532 to 535 of src/configure.
The problem was that the parts I mentioned aren't observing CFLAGS,
whatever they might be.

I don't really _want_ 32 bit if I can have 64 bit, I suppose, so I edited
src/configure to remove "-tp k8-32" altogether so as to let the Portland
compiler build code for whichever architecture it is running on, reran
configure -opteron pgf90, and at least I am not getting core dumps with
the tests right away... I'm leaving the tests running and will know
more tomorrow when they have finished.

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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