Re: Building namd 2.12 from source an ARM64 architecture

From: Fotis Baltoumas (
Date: Wed Sep 27 2017 - 18:15:36 CDT

Hello John,

The problem is that you're trying to compile the linux64 version, which
corresponds to the x86_64 architecture, not ARM.

I have little to no experience with ARM processors, but browsing through
the charm++ source files I saw that it has source code for the
"multicore-arm7" and "net-linux-arm7" architectures, which may suit your
needs. (you can find those in the "charm-6.7.1/src/arch" directory).

Replace "multicore-linux64" with one of those.  What you can also do is
build charm++ interactively.  If you simply run " ./build charm++ "
without any other arguments, a series of prompts will appear, allowing
you to select your compilers, architecture etc, each from a list of
available choices.  If your system architecture is supported, you will
eventually build it.

Similarly, before you build namd itself, check the
"NAMD_2.12_Source/arch/" directory to see which architecture suits you
best (I saw a number of ARM related ones) and replace "Linux_x86_64-g++"
from the compilation guide with whichever is compatible with your system.

Hope I helped,


On 09/28/2017 01:06 AM, wrote:
> Hello namd mailing list,
> I am trying to compile namd 2.12 on an ARM64 architecture but I am
> unable to do show. I cannot even build charm++. At “./build charm++
> multicore-linux64 –with-production” I get the following error (it is
> clear that the g++ compiler does not work properly for me):
> ./gathertree ../../src/arch/`cat .gdir` .
> test -f ../../src/arch/`cat .gdir`/gdir_link && cat ./../src/arch/`cat
> .gdir`/gdir_link > && ./gathertree ./../src/arch/`cat
>`      . || true
> ./gatherflat ../../src/arch/`cat .vdir` .
> ./gathertree ../../src/../examples             ../examples
> ./gathertree ../../src/../tests                ../tests
> rm -f ../bin/ ; cp ../bin/
> chmod +x charmc
> ./system_ln  ../tmp/charmc ../bin/
> ./system_ln  ../../src/scripts/testrun ../bin/
> rm -rf ../include ; mkdir ../include
> ./system_ln  ../tmp/conv-*.*h ../include
> ./system_ln  ../tmp/cc-*.*h ../include
> ./system_ln  ../tmp/ ../include
> if [ -x ./ ] ; then SRCBASE=../../src ./ ; fi
> if [ ! -f conv-common.h ] ; then ( touch conv-common.h ) ; fi
> touch dirs+sources
> make charmxi
> make[1]: Entering directory
> '/root/home/NAMD_2.12_Source/charm-6.7.1/multicore-linux64/tmp'
> ./configure --disable-controlpoint --disable-tracing
> --disable-tracing-commthread --disable-charmdebug --disable-replay
> --disable-error-checking --disable-stats
> Error checking is disabled
> Statistics collection is disabled
> Charm tracing is disabled
> Charm tracing communication thread is disabled
> CharmDebug is disabled
> Charm record/replay is disabled
> CCS is enabled
> Charm control point is disabled
> Charm LB user data is disabled
> Setting load balancing timer type as 'double'
> checking machine name... multicore-linux64
> checking "cp command as"... cp -p
> checking "C++ compiler as"... "g++  -D_REENTRANT -m64     "
> checking "whether C++ compiler works"... "no"
> Cannot compile C++ programs with g++  -D_REENTRANT -m64
>  (check your charm++ version)
> *** Please find detailed output in charmconfig.out ***
> Makefile:280: recipe for target 'conv-autoconfig.h' failed
> make[1]: *** [conv-autoconfig.h] Error 1
> make[1]: Leaving directory
> '/root/home/NAMD_2.12_Source/charm-6.7.1/multicore-linux64/tmp'
> Makefile:276: recipe for target 'headers' failed
> make: *** [headers] Error 2
> -------------------------------------------------
> Charm++ NOT BUILT. Either cd into multicore-linux64/tmp and try
> to resolve the problems yourself, visit
> for more information. Otherwise, email the developers at
> I assume that from namd 2.10 and on ARM architecture is supported as
> it is written in the release notes for that version. Has anyone any
> experience building namd on ARM? Anyone encountered this error before?
> Thank you for your time.
> John Stamkos

Fotis A. Baltoumas
Phd Candidate, Bioinformatics Postgraduate Programme
Department of Cell Biology and Biophysics
Faculty of Biology, University of Athens
Panepistimiopolis, Athens 157 01, GREECE
email :

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