AMBER Archive (2009)

Subject: [AMBER] pmemd installation in intelmpi

From: Vijay Manickam Achari (vjrajamany_at_yahoo.com)
Date: Wed Feb 04 2009 - 21:16:06 CST

Dear experts

We are trying to configure PMEMD in amber9 in SGI HPC machine running on intel Xeon X86_64. As per seen, there are no options to configure with intelmpi, xeon in the ./configure script. FYI, Intel MPI and Intel MKL are installed as well. Please let us know the best option for us to configure this. Then upon your suggestion, we will post any error messages if there is later.. Thanks.

Vijay Manickam Achari
(Phd Student c/o Prof Rauzah Hashim)
Chemistry Department,
University of Malaya,
Malaysia
 vjramana_at_gmail.com

      

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