AMBER Archive (2006)

Subject: Re: AMBER: Problem with shared libraries: libimf.so

From: Priti Hansia (priti_at_mbu.iisc.ernet.in)
Date: Sun May 07 2006 - 00:40:49 CDT

I had tried compiling with ifort_ia64 also. But I got the following error
after sometime :

ifort -c -w95 -ftz -O3 -IPF_fma -IPF_fp_relaxed -ip -FR -o pb_force.o
_pb_force.f
fortcom: Severe: _pb_force.f, line 1605: **Internal compiler error:
segmentation violation signal raised** Please report this error along with
the circumstances in which it occurred in a Software Problem Report.
Note: File and line given may not be explicit cause of this error.
   ex = ( phi(i-1,j ,k ) - phi(i+1,j ,k ) )/(2*h)
..........^
compilation aborted for _pb_force.f (code 3)
make[1]: *** [pb_force.o] Error 3
make[1]: Leaving directory `/software/amber9/src/sander'
make: *** [serial] Error 2

It is saying 'Internal compiler error' ! But we had used the same compiler
to install amber8. So I had tried installing with g95.

-Priti

> On Sat, May 06, 2006, Priti Hansia wrote:
>
> Two points:
>
> (1) As stated many times on the reflector in the past few weeks, if the
> new2oldparm program will not compile, it is most likely a problem with
> your
> compiler. Be sure that you can compile other fortran programs with your
> installation.
>
> (2) With a high-end machine like an SGI-altix, why do you want to use g95?
> Do you not have access to ifort? It just seems strange to have such an
> expensive and high-end parallel machine, and then couple it to a compiler
> whose performance will be significantly slower than what should be
> readily-available alternatives.
>
> The g95 compiler is great if you are just learning amber, or are not
> planning
> to do extensive simulations. Or if you don't wish to lay out the money
> for a
> commerical compiler. But for extensive, parallel runs on high-end
> machines,
> you should consider better alternatives.
>
> (Also, I'm not sure anyone has ever tested the ia64 version of g95, for
> just
> this reason. So you may have to be prepared to chart new ground here.)
>
> ...good luck...dac

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