AW: about compiling NAMD using intel icc and impi

From: Norman Geist (
Date: Fri Jan 23 2015 - 04:59:43 CST

I guess you should have you MPIs "bin" directory in your PATH. Try


export PATH=$PATH:/your/mpi/bin


Norman Geist.


Von: [] Im Auftrag
von XSC
Gesendet: Freitag, 23. Januar 2015 11:00
Betreff: namd-l: about compiling NAMD using intel icc and impi


Dear all

           I am new to NAMD and recently I had to build it on my laptop.

           My experimental environment is like these:

                    OS-- Centos 6.5 minimal




            and my NAMD source code is the latest one.

            As the note implies , I first build charm++ 6.6.1 and error

            my command is : ./build charm++ mpi-linux-x86_64 icc ifort -j16

            and error is :

            checking whether build on MPI: no

            error: cannot build a MPI program

            gmake[1]: ***[conv-autoconfig.h] error1


and i checked the charmconfig.out which showed:

            catastrophic error: cannot open source file "mpi.h"


             I don't know how to go on and need your help indeed,

            Thanks all in advance.

best regards.


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