AMBER Archive (2006)

Subject: RE: AMBER: Shared libraries error

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed May 03 2006 - 10:13:32 CDT


Hi Andrew,

Don't set LD_LIBRARY_PATH manually instead have you .bashrc file source
/opt/intel/fce/9.0/bin/ifortvars.sh (or /fc/ if you are on a 32 bit
machine). This will set the LD_LIBRARY_PATH and regular PATH correctly. You
may also want to locate where libimf.so is on your machine and just add that
directory to your path.

Alternatively just compile AMBER statically and you won't have a problem:

./configure -static -p4 ifort
make clean
make

All the best
Ross

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|\oss Walker

| HPC Consultant and Staff Scientist |
| San Diego Supercomputer Center |
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> -----Original Message-----
> From: owner-amber_at_scripps.edu
> [mailto:owner-amber_at_scripps.edu] On Behalf Of Andrew Box
> Sent: Tuesday, May 02, 2006 20:15
> To: amber_at_scripps.edu
> Cc: box_twin2_at_hotmail.com
> Subject: AMBER: Shared libraries error
>
> Dear Amber Users.
>
> I have installed Amber 8 in Fedora Core 4 on an intel PC with
> the intel
> Fortran compiler, version 9.0. The instillation seems to go
> fine, until I
> try to invoke sander, when i get the following error:
>
> # sander
> sander: error while loading shared libraries: libimf.so:
> cannot open shared
> object file: No such file or directory
>
> When I test sander, i got the following error:
>
> # make test.sander
> cd dmp; ./Run.dmp
> ../../exe/sander: error while loading shared libraries:
> libimf.so: cannot
> open shared object file: No such file or directory
> ./Run.dmp: Program error
> make: *** [test.sander.no_lmod] Error 1
>
> I have added the Amber path to my .bashrc file and also added in the
> LD_LIBRARY_PATH for the compiler.
>
> Any help your be greatly appreciated.
>
> Andrew Box
>
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