AMBER Archive (2008)

Subject: Re: AMBER: install amber 10 on linux with openSUSE 10.2 (x86-64)

From: wl2290_at_columbia.edu
Date: Tue Dec 30 2008 - 16:15:59 CST

Dear Dr. Case,

Thank you very much for your help.

g95 was installed and linked:
amber10/bin# ln -s /root/g95-install/bin/x86_64-suse-linux-gnu-g95
/opt/amber10/bin/g95

g95 lib was set up:
setenv LD_LIBRARY_PATH /root/g95-install/lib and /root/g95-install/bin
is on PATH

./configure_amber -lamsource g95
     - > configuration file, config_amber.h, was successfully created

./configure_lam -> please see the attachment. Basically, the error is:

configure: WARNING: *** Your C++ compiler does not seem to support the STL.
configure: WARNING: *** STL support is necessary to compile LAM/MPI
configure: error: cannot continue

And the error message from "make parallel" is still there:
cpp -traditional -I/opt/amber10/include -P -xassembler-with-cpp
-Dsecond=ambsecond -DBINTRAJ -DMPI constants.f > _constants.f
/opt/amber10/bin/mpif77 -c -O3 -fno-range-check -fno-second-underscore
-ffree-form -o constants.o _constants.f
f771: error: unrecognized option `-fno-range-check'

Thanks,
Wen

Quoting "David A. Case" <case_at_biomaps.rutgers.edu>:

> On Tue, Dec 30, 2008, wl2290_at_columbia.edu wrote:
>>
>> I have been trying to "make parallel" of amber 10 on my linux computer. I
>> got the compiling message:
>
>> /opt/amber10/bin/mpif77 -c -O3 -fno-range-check -fno-second-underscore
>> -ffree-form -o constants.o _constants.f
>> f771: error: unrecognized option `-fno-range-check'
>
>
>>
>> I have set PATH to f771, mpif77 and mpirun, and LD_LIBRARY_PATH to libg2c:
>
> I think these are all irrelevant to your problem.
>
>> More information on my computer:
>> g77 -v
>
> Amber requires a fortran 95 compiler; it will never begin to work with
> g77.
>
> My problem is that it's hard to remember everything you tried before and
> why that didn't work. (Assuming you reported the parallel problems
> before?)
>
> If not, first try a bog-standard configuration like this:
>
> configure_amber -lamsource gfortran
>
> Run the ./configure_lam script as requested, then compile amber itself.
> (Be sure to clean up any left over serial compiling results first.)
>
> ....dac
>
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