AMBER Archive (2009)

Subject: Re: [AMBER] Error running sander.MPI

From: Anselm Horn (Anselm.Horn_at_biochem.uni-erlangen.de)
Date: Tue Feb 17 2009 - 04:28:47 CST

Hi Vijay,

the error message you obtain tells you that on your system the math
kernel library for linear algebra (libmkl_lapack.so) is missing. Your
sander.MPI executable, however, seems to have been compiled to make use
of this library.

To solve the problem you could either install the missing library on
your target system(s) or recompile Amber without the MKL.

Regards,

Anselm

Bioinformatik
Institut für Biochemie
Emil-Fischer-Zentrum
Friedrich-Alexander-Universität Erlangen-Nürnberg
Germany

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