Re: NAMD compilation on linux cluster

From: Axel Kohlmeyer (
Date: Sun Jun 08 2008 - 11:32:26 CDT

On Sun, 8 Jun 2008, sudipta sinha wrote:

SS> Hi All,


SS> the fftw and tcl path also set in arch/Linux-i686-fftw.tcl ,
SS> arch/Linux-i686-fftw.fftw. Then I had configured with fftw, tcl and
SS> Linux-i686-g++ . The Linux-i686-g++ directory successfully created but
SS> after type the make command in this directory it gives the following error
SS> message
SS> src/common.C:1: error: CPU you selected does not support x86-64 instruction
SS> set
SS> src/common.C:1: error: CPU you selected does not support x86-64 instruction

you get what you are asking for. if you set the architecture
inconsistently, it is no surprise that compilers complain.

SS> set
SS> make: *** [obj/common.o] Error 1
SS> How i solve this architecture dependent error. There is no x86-64 supported
SS> architecture file in the arch directory. if anybody aware about this

how about the AMD64 files? they work fine on intel cpus as well.

SS> problem, let me know.
SS> Another thing, Is it possible to compile NAMD by mvapich2 insted of charm++.
SS> If so, how I will do that?. I need your help.

namd _requires_ charm++, its whole design is build around charm++.
however, you can build charm++ on top of MPI.

please check the namd wiki, it has _many_ useful pieces of
advice on how to compile namd on all kinds of platforms.


SS> thanks
SS> sudipta

Axel Kohlmeyer
   Center for Molecular Modeling   --   University of Pennsylvania
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323
tel: 1-215-898-1582,  fax: 1-215-573-6233,  office-tel: 1-215-898-5425
If you make something idiot-proof, the universe creates a better idiot.

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