[gmx-users] mpi and acml compiling

David spoel at xray.bmc.uu.se
Wed Aug 24 21:34:59 CEST 2005


On Wed, 2005-08-24 at 20:55 +0400, Andrey V. Golovin wrote:
> Hi all
> first question is : did somebody tried to build gromacs with ACML
> second question: I managed to get binaries, non mpi version work fine, 
> BUT mpi version complies about :
> error while loading shared libraries: libacml.so: cannot open shared 
> object file: No such file or directory
The file libacml.so is in a nonstandard place. Try setting
LD_LIBRARY_PATH 
> 
> any ideas?
> Best regards, Andrey
-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,          75124 Uppsala, Sweden
phone:  46 18 471 4205          fax: 46 18 511 755
spoel at xray.bmc.uu.se    spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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