AMBER Archive (2005)

Subject: Re: AMBER: problems with running sander in parallel on linux

From: Scott Brozell (sbrozell_at_scripps.edu)
Date: Tue Feb 15 2005 - 13:42:45 CST


Hi,

Verify that LD_LIBRARY_PATH is the problem:
copy libimf.so to your working directory and rerun mpirun.
Use the -v option to mpirun to get more details.

Try a different libimf.so; copy one from another machine.
Here are libimf.so details:

1504 -rwxr-xr-x 1 root root 1533098 Oct 29 2003 libimf.so

Intel(R) Fortran Compiler for 32-bit applications, Version 8.0 Build 20031016Z Package ID: l_fc_p_8.0.034

What happens with the serial sander ?
What ifort version are you using ?

good luck,
Scott Brozell

On Tue, 15 Feb 2005, Piotr Cieplak wrote:

> Dear All
> I compiled mpi sander on my linux box using ifort intel compiler
> (under most recent mpi/mpd).
> When I tried to run it (in this case on 2 processors) I got the following error message:
>
> sander: error while loading shared libraries: libimf.so: cannot open shared object file: No such file or directory
> sander: error while loading shared libraries: libimf.so: cannot open shared object file: No such file or directory
>
>
> I have this library installed in my ifort-fortran compiler lib directory
> I also have the proper setup in my environment pointing to the location of this library
>
> LD_LIBRARY_PATH=/opt/intel_cc_80/lib:/opt/intel_fc_80/lib
>
> and I think I exhausted all my ideas what to check in order to run program correctly.
>
> Thank
> Piotr
>
> -----------------------------------------------------------------------
> The AMBER Mail Reflector
> To post, send mail to amber_at_scripps.edu
> To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
>

-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber_at_scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu