[AMBER] amber11 intel mpi compile on altix 450 problem

From: Lisa Perez <mouse.mail.chem.tamu.edu>
Date: Tue, 15 Mar 2011 00:09:01 -0500

I am trying to install parallel (mpi) amber on our 64 processor altix 450 using the intel 11.1 compilers (mkl 10.2) and am running into problems. ./configure -mpi -altix intel specifies the use of mpicc and mpif90 which is not available in the ia64 version of the intel compilers. I have been tinkering with the configure (changing mpicc -> icc, mpif90 -> ifort and adding the -lmpi flag) but I wanted to know if anyone had a quick fix for this problem since my modification have yet to be successful.

I have already successfully compiled parallel (mpi) amber11 with the same version of the intel compilers and mkl on an x86_64 machine.

Thank you,

Lisa M. Pérez, Ph.D.

Texas A&M University
Laboratory for Molecular Simulation, Manager
Graduate Faculty

Department of Chemistry
580 Ross Street
College Station, TX 77842

Chemistry Bldg. RM. 2109
Ofc: (979) 845-9384
Fax: (979) 845-2971

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Received on Mon Mar 14 2011 - 22:30:03 PDT
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