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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Received on Wed Feb 18 2009 - 01:18:10 PST
