AMBER Archive (2009)

Subject: [AMBER] Error running sander.MPI

From: Vijay Manickam Achari (vjrajamany_at_yahoo.com)
Date: Mon Feb 16 2009 - 02:23:05 CST

Dear Amber users,

I get the error as below when running job using sander.MPI as below:

vijay_at_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_at_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_at_gmail.com

      

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