AMBER Archive (2006)

Subject: Re: AMBER: compiling parallel amber 9 in linux

From: David A. Case (case_at_scripps.edu)
Date: Wed Aug 23 2006 - 15:01:35 CDT

On Wed, Aug 23, 2006, Amber admin wrote:
>
> Hi, I ran into a problem with the parallel installation. I am using a
> downloaded binary copy of g95. Here is part of my cshrc file:
>
>
> I got the following error message after typing ./configure -lam ifort_ia32:

If you use the above script, you will use the intel compiler; whether or not
you have g95 on your machine would be irrelevant.
>
> ......
> ../lmod/lmod.a ../lapack/lapack.a ../blas/blas.a \
> ../lib/nxtsec.o ../lib/sys.a -L/opt/lam/intel/lib
> -L/opt/lam/intel/lib -llammpio -llamf77mpi -lmpi -llam -lutil -ldl
> -lpthread
> ../lmod/lmod.a(xmin.o)(.text+0x7): In function `xmin_':

It looks like you probably compiled once with g95, then tried to compile
later with ifort. There is a bug in the "clean" target in Amber 9 which
will be tricky to fix: the script doesn't know if you have obtained the binary
copies of xmin.o and lmod.o from Istvan Kolossvary (in which case, you don't
want to remove them), or if these files are just "stubs" compiled by you
(in which case, you do want to remove them with "make clean").

For now, you will have to go to amber9/src/lmod/lmod and amber9/src/lmod/xmin,
and manually delete the *.o files when you change compilers.

...thanks for the report...good luck...dac

[p.s. Istvan: can you try to prepare a patch that will solve the above
problem? ...thx...]
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