AMBER Archive (2009)

Subject: Re: [AMBER] AmberTools 1.2 Installation on Ubuntu 9.10 Karmic Koala

From: David Watson (dewatson_at_olemiss.edu)
Date: Mon Nov 09 2009 - 16:35:32 CST

On Nov 9, 2009, at 4:05 PM, Wallace Kunin wrote:

> g++ is version 4.4.1
>
> I applied Mark Williamson's fix in the
> ./src/gleap/mortsrc/common/fortran.cpp file.
>
> I did make -f makefile_at clean using gfortran and it went all the way
> through but it had a few errors on the way. When I tested it was
> cut short
> by an error. Here are my outputs.
>
> I also uninstalled g77 completely.
>
>
>
>
> COMPILE
>

<snip>
Did you rerun
     make -f Makefile_at
?

If not, you need to do that before you
     make -f Makfeile_at test

>
> TESTS
>
> kunin_at_admin-laptop:~/amber10/src$ cd ../test
> kunin_at_admin-laptop:~/amber10/test$ make -f Makefile_at test

 From the output below, it appears that you still have not performed a
recompilation after cleaning up your src tree.

> ./Run.tp: Program error
> make: *** [test.antechamber.hasG77] Error 1

Double check the ambertools installation instructions.
Long story short, you run the "configure_at" program to create a
"config.h" file which is used by the "make" program.
If you have contaminated your src tree with object ".o" files etc that
have been created for the wrong compiler, then a proper build will not
happen, and you are going to see problems.
Once this has happened, make sure to run the "make clean/configure/
make/make test" process in order so that you will be starting from a
fresh src tree.

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