Re: Building namd 2.12 from source an ARM64 architecture

From: Vermaas, Joshua (Joshua.Vermaas_at_nrel.gov)
Date: Wed Sep 27 2017 - 18:09:31 CDT

Hi John,

Are you sure that multicore-linux64 is the right arch? Usually that is
for the x86_64 instruction set, which is what the -m64 signifies. I
*think* you want the multicore-arm7 option, although I need to stress
I've never build NAMD on an ARM system.

-Josh

On 09/27/2017 04:10 PM, istamkos_at_auth.gr 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 > .gdir.new && ./gathertree
> ./../src/arch/`cat .gdir.new` . || true
> ./gatherflat ../../src/arch/`cat .vdir` .
> ./gathertree ../../src/../examples ../examples
> ./gathertree ../../src/../tests ../tests
> rm -f ../bin/dep.pl ; cp dep.pl ../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/conv-mach-opt.sh ../include
> if [ -x ./special.sh ] ; then SRCBASE=../../src ./special.sh ; 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
> https://na01.safelinks.protection.outlook.com/?url=http%3A%2F%2Fcharm.cs.illinois.edu%2F&data=02%7C01%7CJoshua.Vermaas%40nrel.gov%7C454415f40ca145d379e708d505f49943%7Ca0f29d7e28cd4f5484427885aee7c080%7C0%7C0%7C636421470469752436&sdata=PcS3C3W05ROyzGmzVsM2dpkEEFfu3AGAgVGMK453nBE%3D&reserved=0
> for more information. Otherwise, email the developers at charm_at_cs.illinois.edu
>
>
> 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
>
>

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