Dear Amber users,
Recently we installed AMBER14 and AMBER TOOLS 15 in our SGE HPC. We are
using Tutorials to verify the installation. Currently we are using
Tutorial: A room-temperature ionic liquid. The serial one is working but
not the parallel one. I am attaching the job submission script (AMBER.sh)
that I used for the parallel run for other software such as TURBOMOLE.
Seeking your suggestions in this regard.
Best regards,
Himansu
--
~~~~~~~~~~~~~~~~~~~~~~~~~~~
*Dr. Himansu S. Biswal*
Assistant Professor
School of Chemical Sciences,
National Institute of Science
Education and Research(NISER),
Bhubaneswar-751005, Orissa, INDIA.
Mob: +91 917 831 1188
*E-mail :himansu.niser.ac.in <himansu.niser.ac.in>
himansubiswal.gmail.com <himansubiswal.gmail.com>*
~~~~~~~~~~~~~~~~~~~~~~~~~~~
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Received on Thu Aug 13 2015 - 17:00:03 PDT
