Hello Mark,
I am strugling with the same bug. Could you be more specific about solution for RHEL5? I can install gcc version 4.4.0 using yum packager alongside standard 4.1.2 version. However, new version have executables gcc44, g++44 and gfortran44. How do I modify Amber 11 configure or config.h files to properly use new gcc version? How do I point to correct libraries for gcc version 4.4?
Thank you,
Richard Owczrazy
Integrated DNA Technologies
-----------------------------------------------------------------------------------------------------------
From: Mark Williamson <mjw.sdsc.edu <mailto:mjw.sdsc.edu?Subject=Re%3A%20%5BAMBER%5D%20Workaround%20for%20gfortran-4.1.2%3F> >
Date: Tue, 20 Jul 2010 16:51:43 -0700
Marc Moreau wrote:
> Hello all,
>
> I am trying to compile against gcc-4.1.2 which includes the buggy
> gfortran-4.1.2.
>
> I'm trying to compile with -O2 instead of the default -O3. Does anyone
> know of any other things to try, or specific compiler flags that allow
> a work-around of the buggy section in fortran?
>
> I am aware that 4.3.2 and 4.4.x are out, but my system is old ( Centos
> 4.3 ) which doesn't have RPMS for those compilers. Further, if I
> upgrade the compiler ( more specifically the libraries ) I need to go
> back and recompile && regression test all the other MD suites in use.
> It's a non-trivial number so I really don't want to do that. We
> expect that we will be getting new Hardware soon which will allow for
> an upgrade of OS and such, then I can roll the old hardware to the new
> system. But that is later. For now, upgrade is not an option.
>
>
> -- Marc
>
Hi Marc,
I've hit this frustrating issue in the past with RHEL4 (which
essentially is what CentOS4 cloned). There is a RPM based solution
within RHEL5 and CentOS5, but I also had upgrade constraints here.
My solution for RHEL4 was to compile the 4.4 gcc compiler from scratch
and then use it to build AMBER. I've written a howto on this and you can
find it at:
http://www.wmd-lab.org/mjw/howtos/compiling_gcc_4_4_4_under_RHEL4.txt
It works rather well for me.
--
Mark Williamson, Post Doc
Walker Molecular Dynamics Group
Room 395E
San Diego Supercomputer Center
9500 Gilman Drive
La Jolla, CA 92093-0505
Email: mjw at sdsc.edu
Office: 858-246-0827
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Aug 25 2010 - 13:00:05 PDT
