Re: [AMBER-Developers] problems with resp_modules

From: Mark Williamson <>
Date: Thu, 11 Feb 2010 09:34:41 -0800

Ben Roberts wrote:
> case wrote:

> I guess I didn't realise the problem because I have a beast of Mac that
> has 10 GB of RAM (so all I noticed was a slow compilation). But still, I
> agree that a 2 GB resp executable isn't acceptable, and don't understand
> why it should be that way. While I (of course) don't like to see my work
> vanish into the ether, by all means roll back if it's the best thing to
> do, and I apologise for any inconvenience.

I'm not seeing any issues on a x86_64 PC with gfortran "4.1.2" and 4.4.3:

[08:44][bunny:0.04][mjw:etc]$ gfortran -v
Using built-in specs.
Target: x86_64-redhat-linux5E
Configured with: ../configure --prefix=/usr --mandir=/usr/share/man
--infodir=/u sr/share/info
--enable-shared --enable-threads=posix --enable-checking=release -
--enable-__cxa_atexit --disable-libunwind-exceptions --with-gx
--enable-libgcj-multifile --enable-language
                s=c,c++,java,f95 --enable-java-awt=gtk --disable-dssi
jvm/java-1.4.2-gcj- --with-cpu=generic
Thread model: posix
gcc version 4.1.2 20080704 (Red Hat 4.1.2-44)
[08:44][bunny:0.03][mjw:etc]$ ls -l resp
-rwxrwxr-x 1 mjw mjw 84891 Feb 11 08:43 resp

[08:45][bunny:0.32][mjw:etc]$ gfortran -v
Using built-in specs.
Target: x86_64-unknown-linux-gnu
Configured with: ../gcc-4.4.3/configure --enable-languages=c,c++,fortran
Thread model: posix
gcc version 4.4.3 (GCC)
[08:45][bunny:0.30][mjw:etc]$ ls -l resp
-rwxrwxr-x 1 mjw mjw 88757 Feb 11 08:45 resp

What version of gfortran is MacOS using? IIRC, they always seem to
package up some bleeding edge version (~4.5) of gcc, hence the
probability of getting bitten by compiler bugs is greater.

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
Office: 858-246-0827
AMBER-Developers mailing list
Received on Thu Feb 11 2010 - 10:00:03 PST
Custom Search