AMBER Archive (2005)

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

From: Piotr Cieplak (cieplak_at_cgl.ucsf.edu)
Date: Tue Feb 15 2005 - 14:55:59 CST


Hi
I used the libimf.so from the ifort 8.1 version:
1844 -rwxr-xr-x 1 root root 1882996 Oct 19 12:03 libimf.so*

I copied libimf.so to my running directory and the error is the same.
Maybe it is something wrong with mpirun (installation?) itself?
Serial sander works ok (all tests passed).
When trying to load parallel sander without mpirun - it loads and seems
to behave as normal serial version of the program.

mpirun -v gives:
mpdrun for mpd version: (0, 5, 0, 'September, 2004 release')

Piotr

On Tue, 15 Feb 2005, Scott Brozell wrote:

> Date: Tue, 15 Feb 2005 11:42:45 -0800
> From: Scott Brozell <sbrozell_at_scripps.edu>
> Reply-To: amber_at_scripps.edu
> To: amber_at_scripps.edu
> Subject: Re: AMBER: problems with running sander in parallel on linux
>
> 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
>>
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