Dear Amber users,
I get the error as below when running job using sander.MPI as below:
vijay.ptmlxclus:~/Simulation> sander.MPI -O -i MD-betaMalto-lyoHIGH.in -p maltose_lyoHIGH.top -c betaMalto-lyoHIGH-MD18-run0700.rst_100000 -o betaMalto-lyoHIGH-MD18-run0700.out -x betaMalto-lyoHIGH-MD18-run0700.traj -r betaMalto-lyoHIGH-MD18-run0800.rst sander.MPI: error while loading shared libraries: libmkl_lapack.so: cannot open shared object file: No such file or directory
vijay.ptmlxclus:~/Simulation>
Could you kindly give some suggestion on how to overcome this matter?
Thank you.
Regards
Vijay
Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
vjramana.gmail.com
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Received on Mon Feb 16 2009 - 01:14:59 PST
